id,type,drugbank_id,name,state,description,cas_number,protein_formula,protein_weight,investigational,approved,vet_approved,experimental,nutraceutical,illicit,withdrawn,moldb_mono_mass,moldb_inchi,moldb_inchikey,moldb_smiles,moldb_average_mass,moldb_formula,synthesis_patent_id,protein_weight_details,biotech_kind 1,BiotechDrug,DB00001,Lepirudin,liquid,"Lepirudin is identical to natural hirudin except for substitution of leucine for isoleucine at the N-terminal end of the molecule and the absence of a sulfate group on the tyrosine at position 63. It is produced via yeast cells. Bayer ceased the production of lepirudin (Refludan) effective May 31, 2012.",138068-37-8,C287H440N80O110S6,6963.425,0,1,0,0,0,0,0,,,,,,,,,recombinant
id
type
drugbank_id
name
state
description
cas_number
protein_formula
protein_weight
investigational
approved
vet_approved
experimental
nutraceutical
illicit
withdrawn
moldb_mono_mass
moldb_inchi
moldb_inchikey
moldb_smiles
moldb_average_mass
moldb_formula
synthesis_patent_id
protein_weight_details
biotech_kind
1
BiotechDrug
DB00001
Lepirudin
liquid
Lepirudin is identical to natural hirudin except for substitution of leucine for isoleucine at the N-terminal end of the molecule and the absence of a sulfate group on the tyrosine at position 63. It is produced via yeast cells. Bayer ceased the production of lepirudin (Refludan) effective May 31, 2012.
138068-37-8
C287H440N80O110S6
6963.425
0
1
0
0
0
0
0
recombinant
Drugs are stored in the drugs table.
Many tables include a drug_id column. This indicates that the rows of that tables can be related the rows of the drugs table by matching the id and drug_id columns. In SQL, this operation is a JOIN.
Columns
Column
Type
Description
id
integer
type
string
drugbank_id
string
Other identifiers that may be associated with the drug.
name
string
state
string
One of solid, liquid, or gas.
description
string
Descriptions of drug chemical properties, history and regulatory status.
simple_description
string
The simple description uses non-technical language and summarizes the most common uses for the drug.
clinical_description
string
The clinical description includes the key details about indications and mechanism to quickly summarize the drug for a professional user.
cas_number
string
The Chemical Abstracts Service (CAS) registry number assigned to the drug.
protein_formula
string
protein_weight
float
investigational
integer
approved
integer
vet_approved
integer
experimental
integer
nutraceutical
integer
illicit
integer
withdrawn
integer
moldb_mono_mass
float
The mass of the most abundant isotope of the drug.
moldb_inchi
string
A prediction of the IUPAC International Chemical Identifier (InChI); imported by ChemAxon.
moldb_inchikey
string
The condensed digital representation of the IUPAC International Chemical Identifier (InChI); imported by ChemAxon.
moldb_smiles
string
The simplified molecular-input line-entry system (SMILES) is a line notation used for describing the structure of chemical species using short ASCII strings; calculated by ChemAxon.
moldb_average_mass
float
The weighted average of the isotopic masses of the drug.
moldb_formula
string
Indicates the simple numbers of each type of atom within the molecule; calculated by ChemAxon.
synthesis_patent_id
string
protein_weight_details
string
biotech_kind
string
A more precise categorization of biotech drugs. Examples: vaccine, antigen.
The investigational, approved, vet_approved, experimental, nutraceutical, illicit, withdrawn fields all contain a boolean value, encoded as either 0 for false, or 1 for true. This value indicates whether this drug belongs to the specified group.
Relationships
The drugs represented by the drugs table have many relationships throughout the dataset. General scholarly references are provided for drugs via the reference tables.
The proprietary names used by the manufacturers for commercially available forms of the drug, focusing on brand names for products that are available in countries other than Canada and the Unites States.
Brands are stored in the brands table.
Relationships
Column
Source
drug_id
drugs
Columns
Column
Type
Description
id
integer
drug_id
integer
name
string
The proprietary, well-known name for given to this drug by a manufacturer.
Identifiers used in other websites or databases providing information about this drug.
Drug external resource identifiers are stored in the external_resource_identifiers table.
This table stores IDs used in other databases to identify drugs, salts and metabolites. Each row represents a DrugBank record, a source (external database) and an identifer.
External resource identifiers may be provided for the following resources:
Drug properties that have been predicted by ChemAxon or ALOGPS based on the inputed chemical structure. Associated links below will redirect to descriptions of the specific term.
Calculated drug properties are stored in the drug_calculated_properties table.
Relationships
Column
Source
drug_id
drugs
Columns
Column
Type
Description
drug_id
int
iupac_name
string
The predicted International Union of Pure and Applied Chemistry (IUPAC) nomenclature for the structure; predicted by ChemAxon.
iupac_traditional_name
string
The non-systematic (or common) name for the molecule, which is not recognized by any formal nomenclature system; imported from ChemAxon.
smiles
string
The simplified molecular-input line-entry system (SMILES) is a line notation used for describing the structure of chemical species using short ASCII strings; calculated by ChemAxon.
logp
string
The predicted partition coefficient (LogP) based on the ratio of solubility of the molecule in 1-octanol compared to water; predicted by ALOGPS.
average_mass
string
The predicted ratio of the average mass of one molecule of an element or compound to one twelfth of the mass of an atom of carbon-12; calculated by ChemAxon.
mono_mass
string
The predicted mass of the most abundant isotope of the drug; calculated by ChemAxon.
formula
string
Indicates the simple numbers of each type of atom within the molecule; calculated by ChemAxon.
inchi
string
A prediction of the IUPAC International Chemical Identifier (InChI); imported by ChemAxon.
inchikey
string
The condensed digital representation of the IUPAC International Chemical Identifier (InChI); imported by ChemAxon.
polar_surface_area
string
A descriptor, based on the polarized atoms of the molecule, that allows estimation of transport properties and of the passive molecular transport through membranes of the drug; predicted by ChemAxon.
refractivity
string
The predicted molar refractivity of the molecule, which is strongly related to the volume of the molecules and to London dispersive forces that play crucial part in drug-receptor interactions; predicted by ChemAxon.
polarizability
string
The predicted relative tendency of the electron cloud (charge distribution) of the molecule to be distorted by an external electric field; polarizability values predicted by ChemAxon.
rotatable_bond_count
string
The predicted number of rotatable bonds in the molecule; predicted by ChemAxon. Unsaturated bonds, and single bonds connected to hydrogens or terminal atoms, single bonds of amides, sulphonamides and those connecting two hindered aromatic rings (having at least three ortho substituents) are considered non-rotatable.
acceptor_count
string
A calculation of the sum of the hydrogen bond acceptor atoms. An acceptor atom always has a lone electron pair/lone electron pairs that is capable of establishing a H bond. Predicted by ChemAxon.
donor_count
string
A calculation of the sum of the atoms in the molecule which have hydrogen bond donor property. Predicted by ChemAxon.
pka_strongest_acidic
string
The strongest acidic pka value of the molecule; predicted by ChemAxon.
pka_strongest_basic
string
The strongest basic pka value of the molecule; predicted by ChemAxon.
physiological_charge
string
Charge of the molecule at physiological pH; predicted by ChemAxon.
number_of_rings
string
A calculation of the number of rings in the molecule; predicted by ChemAxon.
bioavailability
string
Fraction of administered dose that is predicted to reach the systemic circulation; predicted by ChemAxon.
rule_of_five
string
A reflection of the absorption or permeation of a molecule; considered “yes” when the molecular weight is under 500 g/mol, the value of logP is lower than 5, and the molecule has utmost 5 H-donor and 10 H-acceptor atoms; predicted by ChemAxon.
ghose_filter
string
A filter that defines drug-likeness constraints as follows: calculated log P is between -0.4 and 5.6, molecular weight is between 160 and 480, molar refractivity is between 40 and 130, and the total number of atoms is between 20 and 70. Imported from ChemAxon.
veber_rule
string
Indicates compliance of drug-like characteristics and its bioavailability based mainly on number of rotatable bonds and polar surface; calculated by ChemAxon.
mddr_like_rule
string
Indicates compliance of drug-like characteristics based on number of rings, rigid bonds and rotatable bonds; calculated by ChemAxon.
alogps_logp
string
The predicted partition coefficient (LogP) based on the ratio of solubility of the molecule in 1-octanol compared to water; predicted by ALOGPS.
alogps_logs
string
The predicted solubility (LogS) of the molecule; predicted by ALOGPS.
alogps_solubility
string
The predicted aqueous solubility of the molecule, provided in mg/mL; predicted by ALOGPS.
2,"61 °C (FAB fragment), 71 °C (whole mAb)","","",,-0.413,8.48,,,, 5,71 °C (whole mAb),"","",,-0.529,7.89,,,, 7,"","","",,0.1,"",,,,
drug_id
melting_point
boiling_point
water_solubility
radioactivity
hydrophobicity
isoelectric_point
logp
logs
caco2_permeability
pka
2
61 °C (FAB fragment), 71 °C (whole mAb)
-0.413
8.48
5
71 °C (whole mAb)
-0.529
7.89
7
0.1
Drug properties that have been experimentally proven.
Experimental drug properties are stored in the drug_experimental_properties table.
Relationships
Column
Source
drug_id
drugs
Columns
Column
Type
Description
drug_id
int
melting_point
string
The experimentally determined temperature at which the drug molecule changes from solid to liquid at atmospheric temperature.
boiling_point
string
The experimentally determined temperature at which the drug molecule changes from liquid to gas at atmospheric temperature.
water_solubility
string
The experimentally determined aqueous solubility of the molecule.
radioactivity
string
The property to spontaneously emit particles (alpha, beta, neutron) or radiation (gamma, K capture), or both at the same time, from the decay of certain nuclides.
hydrophobicity
string
The ability of a molecule to repel water rather than absorb or dissolve water.
isoelectric_point
string
The pH value at which the net electric charge of a molecule is zero.
logp
string
The experimentally determined partition coefficient (LogP) based on the ratio of solubility of the molecule in 1-octanol compared to water.
logs
string
The intrinsic solubility of a given compound is the concentration in equilibrium with its solid phase that dissolves into solution, given as the natural logarithm (LogS) of the concentration.
caco2_permeability
string
A continuous line of heterogenous human epithelial colorectal adenocarcinoma cells, CAC02 cells are employed as a model of human intestinal absorption of various drugs and compounds. CAC02 cell permeability is ultimately an assay to measure drug absorption.
pka
The experimentally determined pka value of the molecule.
Drug mappings provide codes and identifiers from ATC, ATCVet and MeSH vocabularies that match a drug in DrugBank.
Drug mappings are stored in the drug_mappings table.
Relationships
Column
Source
drug_id
drugs
Columns
Column
Type
Description
drug_id
integer
code
string
Identifier in the vocabulary.
vocabulary
string
vocabulary_level
integer
The level of the mapped concept in ATC
title
string
Title of the drug in the given vocabulary
direct
boolean
1 if the concept is directly mapped to this drug, 0 if it is a parent of the mapped concept
Drug mappings provide codes & identifiers from ATC, ATCVet and MeSH
vocabularies that match a drug in DrugBank. For ATC and ATCVet, parent concepts are included with the value 0 in the direct column.
id,drug_id,indication,pharmacodynamics,mechanism_of_action,absorption,toxicity,protein_binding,metabolism,half_life,route_of_elimination,volume_of_distribution,clearance 2,2,"Cetuximab, used in combination with irinotecan, is indicated ...","Used in the treatment of colorectal cancer, ...","Cetuximab binds to the epidermal growth factor receptor ...","","Pulmonary Toxicity Interstitial lung disease (ILD) was reported in 3 of 633 (<0.5%) ...","","","The mean half-life for Cetuximab is 114 hours (range 75-188 hours).","","Appeared to be independent of dose and approximated the vascular space of 2-3 L/m2.","Female patients had 25% lower intrinsic clearance than male patients."
id
drug_id
indication
pharmacodynamics
mechanism_of_action
absorption
toxicity
protein_binding
metabolism
half_life
route_of_elimination
volume_of_distribution
clearance
2
2
Cetuximab, used in combination with irinotecan, is indicated ...
Used in the treatment of colorectal cancer, ...
Cetuximab binds to the epidermal growth factor receptor ...
Pulmonary Toxicity Interstitial lung disease (ILD) was reported in 3 of 633 (<0.5%) ...
The mean half-life for Cetuximab is 114 hours (range 75-188 hours).
Appeared to be independent of dose and approximated the vascular space of 2-3 L/m2.
Female patients had 25% lower intrinsic clearance than male patients.
Describes the use, mechanism of action, pharmacokinetics, pharmacodynamics, and physiological or biochemical effects in the body.
Pharmacologies are stored in the pharmacologies table.
Relationships
Column
Source
drug_id
drugs
Columns
Column
Type
Description
id
integer
drug_id
integer
indication
string
The approved conditions, diseases, or states for which a drug can safely and effectively be used. An indication is considered to be FDA-approved when it has any of the following designations: NDA, ANDA, BLA, or OTC. May also include indications in other countries, such as Canada (through Health Canada) or in Europe (through the European Medicines Agency).
pharmacodynamics
string
A description of how the drug modifies or affects the organism it is being used in. May include effects in the body that are desired (enzyme or protein targets for example) and undesired (also known as “side effects”). This is in contrast to pharmacokinetics, which describes how the body modifies the drug being used.
mechanism_of_action
string
A component of pharmacodynamics that describes the biochemical interaction through which a drug produces its intended effect. May include the exact molecular protein or enzyme targets and/or a description of the physiological effects produced.
absorption
string
A description of the movement of the drug from the site of administration into the bloodstream or target tissue. Common pharmacokinetic metrics used to evaluate absorption include Area Under the Curve (AUC), bioavailability (F), maximum concentration (Cmax), and time to maximum concentration (Tmax).
toxicity
string
Any adverse reaction, or side effect, that may or may not occur with use of the drug. May be attributed to a number of effects including: an enhanced therapeutic effect, rare anaphylactic reactions, interactions with other medications, or unanticipated binding of the molecule at different sites within the body.
protein_binding
string
A description of the drug’s affinity for plama proteins and the proportion of the drug that is bound to them when in circulation within the body.
metabolism
string
A description of the chemical degradation of the drug molecule within the body; most commonly by enzymes from the Cytochrome P450 (CYP) system in the liver.
half_life
string
The period of time it takes for the amount of drug in the body to be reduced by one half. Provides a description of how quickly the drug is being eliminated and how much is available in the bloodstream.
route_of_elimination
string
A description of the pathway that is used to excrete the drug from the body. Common pharmacokinetic parameters used to evaluate excretion include elemination half life, renal clearance, and tracking of radiolabelled compounds through the renal and GI system.
volume_of_distribution
string
The Vd of a drug represents the degree to which it is distributed into body tissue compared to the plasma.
clearance
string
A pharmacokinetic measurement of the rate of removal of the drug from plasma, expressed as mL/min; reflects the rate of elimination of the drug.
A property right issued by the United States Patent and Trademark Office (USPTO) to an inventor for a limited time, in exchange for public disclosure of the invention when the patent is granted. Drugs may be issued multiple patents.
Drug patents are stored in the patents table.
Relationships
Column
Source
drug_id
drugs
Columns
Column
Type
Description
id
integer
drug_id
integer
country
string
The country that issued the patent rights.
number
string
The patent number(s) associated with the drug.
approved_on
date
The date that the patent request was filed.
expires_on
date
The date that the patent rights expire.
ped_extension
string
Indicates whether or not a pediatric extension has been approved for the patent. Granted pediatric extensions provide an additional 6 months of market protection.
id,drug_id,drug_accession,kind,uniprot_id,protein_name,gene_name,rs_id,allele_name,defining_change,description 159,2,DB00002,1,P12318,Low affinity immunoglobulin gamma Fc region receptor II-a,FCGR2A,rs1801274,"",H allelle,Increased progression free survival 167,2,DB00002,1,P08637,Low affinity immunoglobulin gamma Fc region receptor III-A,FCGR3A,rs396991,"",A > C,Better response to drug therapy (longer progression free survival) with the F allele 139,54,DB00054,0,P05106,Integrin beta-3,ITGB3,"",GPIIIa PlA2,A2 Allele,Associated with greater restenosis and risk for subacute coronary thrombosis in patients administered antiplatelet therapy.
id
drug_id
drug_accession
kind
uniprot_id
protein_name
gene_name
rs_id
allele_name
defining_change
description
159
2
DB00002
1
P12318
Low affinity immunoglobulin gamma Fc region receptor II-a
FCGR2A
rs1801274
H allelle
Increased progression free survival
167
2
DB00002
1
P08637
Low affinity immunoglobulin gamma Fc region receptor III-A
FCGR3A
rs396991
A > C
Better response to drug therapy (longer progression free survival) with the F allele
139
54
DB00054
0
P05106
Integrin beta-3
ITGB3
GPIIIa PlA2
A2 Allele
Associated with greater restenosis and risk for subacute coronary thrombosis in patients administered antiplatelet therapy.
A list of single nucleotide polymorphisms (SNPs) relevent to drug activity or metabolism, and the effects these may have on pharmacological activity. SNP effects in the patient may require close monitoring, an increase or decrease in dose, or a change in therapy.
SNP actions are stored in the snp_actions table.
The kind column indicates whether this record represents an adverse reaction (0) or more general effect (1).
0 = adverse reaction
1 = general effect
Relationships
Column
Source
drug_id
drugs
uniprot_id
polypeptides
Scholarly references are provided for the SNP actions represented by the snp_actions table via the reference tables.
id,drugbank_id,title,description,slug 1,DBCAT000001,Serine Proteinase Inhibitors,Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES.,serine-proteinase-inhibitors 2,DBCAT000002,Protease Inhibitors,Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).,protease-inhibitors 3,DBCAT000003,Enzyme Inhibitors,Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.,enzyme-inhibitors
id
drugbank_id
title
description
slug
1
DBCAT000001
Serine Proteinase Inhibitors
Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES.
serine-proteinase-inhibitors
2
DBCAT000002
Protease Inhibitors
Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).
protease-inhibitors
3
DBCAT000003
Enzyme Inhibitors
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
enzyme-inhibitors
Category information is represented in the categories table.
Columns
Column
Type
Description
id
integer
drugbank_id
string
Primary identifier used for this category in DrugBank.
title
string
Categories of a drug according to different parameters and characteristics such as metabolic enzymes involved, therapeutic effect, drug class, side effects, main excretion routes, major side effects observed, etc.
Drug categorizations are found in the drug_categorizations table. Each row represents the membership of a drug (identified by the drug_id column) and a category (identified by the category_id column).
Relationships
Column
Source
drug_id
drugs
category_id
categories
Columns
Column
Type
Description
id
integer
drug_id
integer
category_id
integer
kind
integer
See description below.
level
integer
See description below.
Categorization Kinds
Each drug categorization has a kind column describing the motivation of the categorization.
Kind Value
Name
Description
0
indexing
Categorization is for organizational/search purposes.
1
pharmacological
Categorization is based on pharmacological properties such as mechanism of action.
2
therapeutic
Categorization is based on therapeutic use of the drug.
Categorization Levels
Each drug categorization has a level column describing the specificity of the relationship between drug and category.
Level Value
Name
Description
0
ancestor
Categorization is due the membership of the drug to a more specific form of this category.
1
root
Categorization is due to the drug being directly part of this category.
category_id,code,vocabulary,vocabulary_level,direct,title 1,D015842,MeSH,,1,Serine Proteinase Inhibitors 2,D011480,MeSH,,1,Protease Inhibitors 2,J05AE,ATC,4,1,Protease inhibitors 2,J05A,ATC,3,0,DIRECT ACTING ANTIVIRALS 2,J05,ATC,2,0,ANTIVIRALS FOR SYSTEMIC USE
category_id
code
vocabulary
vocabulary_level
direct
title
1
D015842
MeSH
1
Serine Proteinase Inhibitors
2
D011480
MeSH
1
Protease Inhibitors
2
J05AE
ATC
4
1
Protease inhibitors
2
J05A
ATC
3
0
DIRECT ACTING ANTIVIRALS
2
J05
ATC
2
0
ANTIVIRALS FOR SYSTEMIC USE
Mappings between DrugBank categories and other categorization systems are found in the category_mappings table. Each row represents a mapping of a DrugBank category to a MeSH, ATC, AHFS, or EPC (FDA Established Pharmacologic Class) category. For ATC, categories which are mapped directly to a lower-level ATC category will also be mapped to the parents of that ATC category, with direct set to 0.
Relationships
Column
Source
category_id
categories
Columns
Column
Type
Description
category_id
integer
Category ID
code
string
The identifier assigned by MeSH or ATC
vocabulary
string
MeSH or ATC
vocabulary_level
integer
The level of the mapped concept in ATC
direct
boolean
1 if the concept is directly mapped to this category, 0 if it is a parent of the mapped concept
Conditions referenced in indications, adverse effects, contraindications, clinical trials, and blackbox warnings are found in the conditions table.
Every condition has a preferred term. For synonyms, this is another term which is equivalent, but may be of higher quality. Preferred terms are their own preferred term - the value of the preferred_term_id column matches the value of the id column.
All references to conditions (such as those in the indication_conditions table) use preferred terms.
Each indication describes a known use of a drug, referenced by thedrug_id column.
This use may be approved or off label (off_label column), and
may be over-the-counter or prescription-only (otc_use column). Indication kind determines
what type of action the indication accomplishes (treatment, prevention, management, etc.).
Each row in the structured_indications table represents a structured indication
for a drug. The drug_id column indicates which drug the indication is for. It is
therefore the primary relationship between drug and indication.
In addition to this row, each indication also includes one or more rows in the
indication_attributes, indication_conditions,
indication_drugs and indication_categories tables. Interpreting a indication
requires bringing together all relevant data from these tables.
Structured indications are extracted from the indications section of drug product labels.
In addition to the information in this table, indications can include relationships with conditions,
drugs, and drug categories. These relationships are represented in the table listed below.
Relationships
Column
Source
drug_id
drugs
Columns
Column
Type
Description
id
string
drug_id
integer
kind
string
Denotes the kind of use this indication describes.
off_label
boolean
Unapproved conditions that this drug has been shown to treat or modify. Unapproved indicates that it has not gone through the FDA approval process.
otc_use
string
Conditions that can be treated with products available over the counter (does not require a prescription).
country
string
A list of regions to which this indication applies.
Indications have a number of optional, string array-valued attributes which cannot be represented in a single column. These are represented in the indication_attributes table. Each row represents one value element of the array in a given attribute.
Relationships
Column
Source
indication_id
structured_indications
Columns
Column
Type
Description
indication_id
string
relationship
string
value
string
Relationship Types
Several attributes are represented in the indication_attributes table. The relationship column can take one of the following values:
Relationship Type
Description
route
Route of administration of the drug(s) in the indication.
dose_form
Dose form in which the indication applies.
dose_strength
Dose strength in which the indication applies.
age_group
List of age groups to which this indication applies.
excluded_age_group
List of age groups to which this indication does not apply.
Each row in the indication_conditions table describes a relationship between
an indication and a condition. An indication may have more than one related condition.
The condition_id column always refers to the preferred version of a condition.
Relationships
Column
Source
indication_id
indications
condition_id
conditions
Columns
Column
Type
Description
indication_id
string
condition_id
integer
relationship
string
Relationship types
The relationship column may take the following values:
Relationship Value
Description
for_condition
The indication treats/manages/prevents this condition.
for_inducing
The indication induces this state/condition.
in_process
The indication is part of the process described by this condition.
in_therapy
The indication is part of the therapy described by this condition.
with_therapy
The indication is to be used adjunct to the therapy described by this condition.
mechanism
Description of what part of the process/therapy this indication fulfills.
patient_character
Describes a patient characteristic required for the indication.
without_patient_character
Describes a patient characterstic which cannot be present for the indication.
equivalent_to
A condition that is equivalent to the main action of this indication.
associated_condition
An associated condition, which serves to further specify the may condition of the indication.
Each row in the indication_drugs table describes an additional drug which plays a role in the indication. This could be either an adjunct drug, or a drug which is used directly in combination as part of the indication.
This information is in addition to the main drug of the indication as represented by the drug_id column in the structured_indications table.
Relationships
Column
Source
indication_id
indications
drug_id
drugs
Columns
Column
Type
Description
indication_id
string
drug_id
integer
relationship
string
Whether the drug is used in ‘adjunct’ or ‘combination’.
Each row in the indication_categories table describes an additional drug category which plays a role in the indication. This could be either as an adjunct, or as a drug which is used directly in combination as part of the indication.
Relationships
Column
Source
indication_id
indications
category_id
categories
Columns
Column
Type
Description
indication_id
string
category_id
integer
relationship
string
Whether the drug category is used in ‘adjunct’ or ‘combination’.
Each row in the indication_product_concepts table describes a product concept which plays a role in the indication. This could be either directly as a means of delivering the main drug of this indication, along with one or more combination drugs, or to deliver other drugs which play a part in the indication.
Relationships
Column
Source
indication_id
structured_indications
product_concept_id
product_concepts
Columns
Column
Type
Description
indication_id
string
product_concept_id
int
relationship
string
'indicated' for a product including the main drug, combination otherwise.
Relationship types
Relationship
Description
indicated
Relevant product concepts containing the main drug of the indication.
combination
Relevant product concepts not containing the main drug of the indication, taken in adjunct or combination.
drug_id,drugbank_id,indication 1,DB00001,For the treatment of heparin-induced thrombocytopenia 2,DB00002,"Cetuximab, used in combination with irinotecan, is indicated for the treatment of EGFR-expressing, metastatic colorectal carcinoma in patients who are refractory to irinotecan-based chemotherapy. Cetuximab administered as a single agent is indicated for the treatment of EGFR-expressing, metastatic colorectal carcinoma in patients who are intolerant to irinotecan-based chemotherapy." 3,DB00003,Used as adjunct therapy in the treatment of cystic fibrosis.
drug_id
drugbank_id
indication
1
DB00001
For the treatment of heparin-induced thrombocytopenia
2
DB00002
Cetuximab, used in combination with irinotecan, is indicated for the treatment of EGFR-expressing, metastatic colorectal carcinoma in patients who are refractory to irinotecan-based chemotherapy. Cetuximab administered as a single agent is indicated for the treatment of EGFR-expressing, metastatic colorectal carcinoma in patients who are intolerant to irinotecan-based chemotherapy.
3
DB00003
Used as adjunct therapy in the treatment of cystic fibrosis.
Each row in the text_indications table contains the text from the indication column of the pharmacologies table for the given drug.
Each structured adverse effect represents a known adverse effect of a given drug, when used in a specific situation. For instance, some adverse effects are specific to a certain route of administration, or patients of a certain age group. The data within an adverse effect can thus be divided into two categories: data describing the adverse effect, and data describing the situation in which it is expected to arise.
Each row in the structured_adverse effects table represents a structured adverse effect
for a drug, referenced by the drug_id column. In addition to this row, each adverse effect
also includes one or more rows in the
adverse_effect_attributes, adverse_effect_conditions, adverse_effect_incidences,
adverse_effect_drugs and adverse_effect_categories tables. Interpreting an adverse effect
requires bringing together all relevant data from these tables.
Relationships
Column
Source
drug_id
drugs
Columns
Structured adverse effects have the following columns:
Column
Type
Description
id
string
drug_id
int
region
string
The source region of the adverse effect.
admin
string
Type of administration for which the adverse effect applies. Example: “Multiple dose”.
usage
string
Specific usage of which the adverse effect applies. Example: “First-line therapy”.
event
string
Specific event that causes this adverse effect. Example: “discontinuation”.
sex_group
string
Sex group of patients to which the adverse effect applies. Possible values are null, “male”, “female”, or “all".
min_age_amount
int
min_age_unit
string
max_age_amount
int
max_age_unit
string
The min/max age amount/unit columns form minimum and maximum ages for the adverse effect.
Value
Columns
Description
min_age
min_age_amount, min_age_unit
Minimum age of the patient in which the adverse effect applies.
max_age
max_age_amount, max_age_unit
Maximum age of the patient in which the adverse effect applies.
Adverse effects have a number of optional, string array-valued attributes which cannot be represented in a single column. These are found in the adverse_effect_attributes table. Each row represents one value element of the array in a given attribute.
Relationships
Column
Source
adverse_effect_id
structured_adverse_effects
Columns
Column
Type
Description
adverse_effect_id
string
relationship
string
value
string
Relationship Types
Several attributes are represented in the adverse_effect_attributes table. The relationship column can take one of the following values:
Relationship Type
Description
route
Route of administration of the drug(s) in the adverse effect.
dose_form
Dose form in which the adverse effect applies.
dose_strength
Dose strength in which the adverse effect applies.
age_group
List of age groups to which this adverse effect applies.
excluded_age_group
List of age groups to which this adverse effect does not apply.
evidence_type
Source of evidence for this adverse effect. Example: “clinical_trial”.
trial_name
Name of the trial from which the adverse effect was determined.
Structured adverse effects can include relationships with numerous conditions.
Each one of these condition-adverse effect relationships is represented as a row in the adverse_effect_conditions table.
The condition_id column always refers to the preferred version of a condition.
Relationships
Column
Source
adverse_effect_id
structured_adverse_effects
condition_id
conditions
Columns
Column
Type
Description
adverse_effect_id
string
condition_id
int
relationship
string
Identifies the specific relationship between adverse effect and condition.
Relationship Types
Several condition-adverse effect relationships are represented in the adverse effect_conditions table. The relationship column can take one of the following values:
Relationship Type
Description
effect
The adverse effect being described
patient_characteristic
Characteristics of the patient population within which the effect was observed.
excluded_patient_characteristic
Characteristics notably absent from the patient population within which the effect was observed.
with_therapy
Additional therapies patients from the patient population were undergoing when the effect was observed.
associated_with
Symptoms or conditions associated with the adverse effect.
The prevalence of an adverse effect is stored in rows of the adverse_effect_incidences table. Each of these describe the reported statistics for the prevalence of this effect among different groups, such as control, placebo, comparator, or experimental.
Relationships
Column
Source
adverse_effect_id
structured_adverse_effects
Columns
Column
Type
Description
adverse_effect_id
string
id
string
kind
string
Affected group/arm: control, placebo, comparator or experimental.
name
string
Optional description of the incidence, e.g. the name of the comparator.
Certain adverse effects are specific to a combination of the main drug with one or more drugs. This relationship between adverse effect and additional drugs is represented in this table.
Certain adverse effects are specific to a combination of the main drug with one or more drugs. In some cases, this combination applies to the main drug with any drug from a given category of drugs. This relationship between adverse effect and category is represented in the adverse_effect_categories.
Contraindications for a drug. Each contraindication describes a case in which the drug is contraindicated. Each field adds a criteria to the contraindication, and if all of these are fulfilled, the contraindication applies.
Each row in the structured_contraindications table represents a structured contraindication
for a drug, referenced by the drug_id column. In addition to this row, each contraindication
also includes one or more rows in the contraindication_attributes, contraindication_conditions,
contraindication_drugs and contraindication_categories tables. Interpreting a contraindication
requires bringing together all relevant data from these tables.
Structured contraindications are extracted from the contraindications section of drug product labels.
A contraindication without any rows in the contraindication_drugs or contraindication_categories tables
applies in the use of this drug alone or in combination with other drugs. When one or more rows exist
in the contraindication_drugs or contraindication_categories tables, the contraindication applies
specifically to the combination of the main drug with those drugs/categories.
Relationships
Column
Source
drug_id
drugs
Columns
Column
Type
Description
id
string
drug_id
int
region
string
The source region of the contraindication.
time_period
string
Specifies the timeline (ex. short-term), if necessary.
sex_group
string
Sex group of patients to which the contraindication applies. Possible values are null, “male”, “female”, or “all”.
min_age_amount
int
min_age_unit
string
max_age_amount
int
max_age_unit
string
The min/max age amount/unit columns form minimum and maximum ages for the contraindication.
Value
Columns
Description
min_age
min_age_amount, min_age_unit
Minimum age of the patient in which the contraindication applies.
max_age
max_age_amount, max_age_unit
Maximum age of the patient in which the contraindication applies.
Contraindications have a number of optional, string array-valued attributes which cannot be represented in a single column. These are represented in the contraindication_attributes table. Each row represents one value element of the array in a given attribute.
The condition_id column always refers to the preferred version of a condition.
Relationships
Column
Source
contraindication_id
structured_contraindications
Columns
Column
Type
Description
contraindication_id
string
relationship
string
value
string
Relationship Types
Several attributes are represented in the contraindication_attributes table. The relationship column can take one of the following values:
Relationship Type
Description
route
Route of administration of the drug(s) in the contraindication.
dose_form
Dose form in which the contraindication applies.
lab_value
Patient measurements which cause contraindication to apply.
hypersensitivity
Hypersensitivity which contraindicates the drug. The drug is contraindicated if a patient has an allergy/hypersensitivity to any of the given drugs/categories/chemicals. A hypersensitivity of “true” indicates any product of this drug is contraindicated if the patient is hypersensitive to any ingredients (active or otherwise) of the drug product.
age_group
Age groups, at least one of which the patient must belong to in order for the contraindication to apply.
excluded_age_group
Age groups which the patient must not belong to in order for the contraindication to apply.
Structured contraindications can include relationships with numerous conditions.
Each one of these condition-contraindication relationships is represented as a row in the contraindication_conditions table.
Relationships
Column
Source
contraindication_id
structured_contraindications
condition_id
conditions
Columns
Column
Type
Description
contraindication_id
string
condition_id
int
relationship
string
Identifies the specific relationship between contriandication and condition.
Relationship Types
Several condition-contraindication relationships are represented in the contraindication_conditions table. The relationship column can take one of the following values:
Relationship Type
Description
with_therapy
A therapy the patient must be undergoing for the contraindication to apply.
patient_condition
A condition the patient must have for the contraindication to apply.
patient_condition_associated_with
Conditions with which the patient-condition is associated.
Certain contraindications are specific to combinations of drugs, and the relationships with these additional drugs are represented in the contraindication_drugs table. Each row represents one contraindication-drug relationship. In addition, each relationship has a boolean coadmin flag. When coadmin is true, then the contraindication is specific to coadministration of the contraindication drug and the related drug.
This information is in addition to the main drug of the contraindication as represented by the drug_id column in the structured_contraindications table.
Relationships
Column
Source
contraindication_id
structured_contraindications
drug_id
drugs
Columns
Column
Type
Description
contraindication_id
string
drug_id
int
coadmin
boolean
Is the contraindication specific to coadministration with the drug.
Certain contraindications are specific to combinations of certain categories of drugs, and this information is represented in the contraindication_categories table. Each row represents one contraindication-category relationship. In addition, each relationship has a boolean coadmin flag. When coadmin is true, then the contraindication is specific to coadministration of the contraindication drug and the related category.
Relationships
Column
Source
contraindication_id
structured_contraindications
category_id
categories
Columns
Column
Type
Description
contraindication_id
string
category_id
int
coadmin
boolean
Is the contraindication specific to coadministration with the drug.
Structured data representing warnings from the black box section of drug labels. Black box warnings may include specific criteria as to when they apply, as well as potential risks, contraindications, or adverse effects.
Each row in the structured_blackbox_warnings table represents a structured
black box warning for a drug, referenced by the drug_id column.
In addition to this row, each blackbox warning also includes one or more rows in the
blackbox_warning_attributes, blackbox_warning_conditions,
blackbox_warning_drugs and blackbox_warning_categories tables.
These warnings are extracted from the black box section of drug product labels. Each warning can be broken down into two sections: data required to determine when the warning applies, and the warning itself.
Each warning falls into one of the categories below - this category is stored in the kind column.
warning
Provides a warning about a dangerous effect or situation that may arise in the use of this medication.
Important data includes the risk attribute in the blackbox_warning_attributes table.
interaction
Provides a warning about a dangerous drug/drug or drug/category interaction.
Important data includes the blackbox_warning_drugs and blackbox_warning_categories.
contraindication
Provides a warning for an especially dangerous contraindication.
This may be a patient characteristic, co-administration with another medication,
usage in certain populations, or more.
limitation_of_use
For medications that are only to be used by certain professionals or in certain situations,
describes these requirements. See recommendation field.
caution
For situations where the medication can be used but there are high risks associated with the use.
misuse
Describes an incorrect use of this medication. Important data includes the misuse and required_use conditions
in the blackbox_warning_conditions table.
monitor
Describes additional monitoring that should be performed when this medication is used,
either generally, or in specific populations/situations. Important data includes the management attribute.
Relationships
Column
Source
drug_id
drugs
Columns
Column
Type
Description
id
string
drug_id
int
kind
string (see list of values above)
The type of black box warning.
recommendation
string
Short description of the warning, expected action.
management
string
Directions for the health care practictioner to manage risk/adverse effects.
administration
string
Describes the administration of the drug in this warning.
timeline
string
Timeline of drug administration/usage.
sex_group
string
Sex group of the patient for which the warning applies.
min_age_amount
int
min_age_unit
string
max_age_amount
int
max_age_unit
string
The min/max age amount/unit columns form minimum and maximum ages for the black box warning.
Value
Columns
Description
min_age
min_age_amount, min_age_unit
Minimum age of the patient for which the warning applies.
max_age
max_age_amount, max_age_unit
Maximum age of the patient for which the warning applies.
Black box warnings have a number of optional, string array-valued attributes which cannot be represented in a single column. These are represented in the blackbox_warning_attributes table. Each row represents one value element of the array in a given attribute.
Relationships
Column
Source
blackbox_warning_id
structured_blackbox_warnings
Columns
Column
Type
Description
blackbox_warning_id
string
relationship
string
Identifies the type of relationship
value
string
The string value of the attribute
Relationship Types
Several attributes are represented in the blackbox_warning_attributes table. The relationship column can take one of the following values:
Relationship Type
Description
route
Drug routes for which this warning applies.
dose_form
Dose forms to which this warning applies.
lab_value
Relevant lab values for which this warning applies.
Structured black box warnings can include relationships with numerous conditions.
Each one of these condition-warning relationships is represented as a row in the blackbox_warning_conditions table.
The condition_id column always refers to the preferred version of a condition.
Relationships
Column
Source
blackbox_warning_id
structured_blackbox_warnings
condition_id
conditions
Columns
Column
Type
Description
blackbox_warning_id
string
condition_id
int
relationship
string
Identifies they type of relationship
Relationship Types
Several condition-warning relationships are represented in the blackbox_warning_conditions table. The relationship column can take one of the following values:
Relationship Type
Description
risk
A serious adverse effect which may occur with the usage of the drug.
misuse
Incorrect usage of the drug.
required_use
The only approved/safe usage of the drug.
patient_characteristic
Patient characteristics that cause warning to apply to the patient.
excluded_patient_characteristic
Patient characteristics that exclude the patient from this warning.
Certain black box warnings are specific to combinations of drugs, and this information is represented in the blackbox_warning_drugs table. Each row represents one additional warning-drug relationship. In addition, each relationship has a boolean coadmin flag. When coadmin is true, then the warning is specific to coadministration of the warning drug and the related drug.
Relationships
Column
Source
blackbox_warning_id
structured_blackbox_warnings
drug_id
drugs
Columns
Column
Type
Description
blackbox_warning_id
string
drug_id
int
coadmin
boolean
Is the warning specific to coadministration with the drug.
Certain black box warnings are specific to combinations of certain categories of drugs, and this information is represented in the blackbox_warning_categories table. Each row represents one warning-category relationship. In addition, each relationship has a boolean coadmin flag. When coadmin is true, then the warning is specific to coadministration of the warning drug and the related category.
Relationships
Column
Source
blackbox_warning_id
structured_blackbox_warnings
category_id
categories
Columns
Column
Type
Description
blackbox_warning_id
string
category_id
int
coadmin
boolean
Is the warning specific to coadministration with the drug.
Structured Pharmacologies
The structured_pharmacology_ tables contain structured pharmacokinetic data derived from the free
text data stored in the Pharmacologies table. The free
text data is structured into a number of tables, each of which represents a different aspect of the
pharmacology and pharmacokinetics of a drug.
Scholarly references are provided for the structured pharmacology data represented by the structured_pharmacology_ tables via the reference tables.
Structured pharmacokinetic data derived from text data stored in the absorption field of the pharmacologies table. Comprises area under the curve (AUC) values, a measurement of the total systemic exposure to a drug following its administration.
Structured AUC data is stored in the structured_pharmacology_aucs
Relationships
Column
Source
drug_id
drugs
dosage_form_id
dosage_forms
dosage_route_id
dosage_routes
Scholarly references are provided for the Structured Pharmacology - AUC data represented
by the structured_pharmacology_aucs table via the reference tables.
Columns
Column
Type
Description
id
integer
Row ID for table
drug_id
integer
Foreign key to drugs table
value
float
AUC value extracted from the source text when a discrete value is provided
min
float
Minimum AUC value extracted from a specified range provided in the source text. If the minimum value field is unspecified while a maximum value is specified, the minimum value will be indicated as zero.
max
float
Maximum AUC value extracted from a specified range provided in the source text. If the maximum value field is unspecified while a minimum value is specified, the maximum value should be considered as infinite.
unit
string
Unit of measurement for AUC value(s) extracted from source text and standardized to Unified Code for Units of Measure (UCUM) units
normalized_value
float
Extracted AUC value normalized and converted to [iU].h/L, mg.h/L, mg/m2, or mol.h/L
normalized_min
float
Extracted minimum AUC value (if a range was provided) normalized and converted to [iU].h/L, mg.h/L, mg/m2, or mol.h/L
normalized_max
float
Extracted maximum AUC value (if a range was provided) normalized and converted to [iU].h/L, mg.h/L, mg/m2, or mol.h/L
normalized_unit
string
Extracted AUC unit normalized and converted to [iU].h/L, mg.h/L, mg/m2, or mol.h/L
dose_value
float
Dose value extracted from the source text (i.e. the dose administered to test subjects)
dose_min
float
Minimum dose value extracted from a range within the source text
dose_max
float
Maximum dose value extracted from a range within the source text
dose_unit
string
Unit of measurement for dose value(s) extracted from source text
normalized_dose_value
float
Dose_value normalized and converted to one of the following UCUM units: mg/kg, mg, mg/m2
normalized_dose_min
float
Dose_min normalized and converted to one of the following UCUM units: mg/kg, mg, mg/m2
normalized_dose_max
float
Dose_max normalized and converted to one of the following UCUM units: mg/kg, mg, mg/m2
normalized_dose_unit
string
Dose_unit normalized and converted to one of the following UCUM units: mg/kg, mg, mg/m2
fda_label_reference
boolean
Flag indicating values that are sourced from an FDA approved drug product label
dosage_route_id
integer
Foreign key to dosage_routes table
dosage_form_id
integer
Foreign key to dosage_forms table
age_group
string
The age group of the subjects in which this AUC value was recorded, if available in the source text. Normalized to one of Unspecified, Premature, Adults (16-65), Seniors (65+), or the following FDA-defined age groups: Neonates, Infants, Children, Adolescents, Pediatric. May also be defined in the context of major life stages: Prepubertal, Postpubertal, Premenopausal, Perimenopausal, Menopausal, or Postmenopausal.
sex
string
The sex of the subjects in which this AUC value was recorded, if available in the source text. Can be one of: Female, Male, All, or Unspecified.
Structured bioavailability data is stored in the structured_pharmacology_bioavailabilities table.
Bioavailability is a measurement of the rate and extent to which a drug reaches the systemic circulation.
Each row in the structured_pharmacology_bioavailabilities table represents a single structured and
normalized bioavailability data-point derived from the unstructured free-text bioavailability field of the
pharmacologies table.
Relationships
Column
Source
drug_id
drugs
dosage_form_id
dosage_forms
dosage_route_id
dosage_routes
Scholarly references are provided for the Structured Pharmacology - Bioavailability data represented
by the structured_pharmacology_bioavailabilities table via the reference tables.
Columns
Column
Type
Description
id
integer
row ID
drug_id
integer
foreign key to drugs table
value
float
bioavailability value extracted from source text when a discrete value is provided in the source text
min
float
the minimum bioavailability value extracted from a specified range provided in the source text. If the minimum value field is unspecified while a maximum value is indicated, the minimum value is indicated as zero.
max
float
the highest bioavailability value extracted from a specified range provided in the source text. If the maximum value field is unspecified while a minimum value is indicated, the maximum value should be considered as infinite.
unit
string
unit of measurement for bioavailability value(s) extracted from source text and standardized to Unified Code for Units of Measure (UCUM) units
normalized_value
float
the extracted bioavailability value normalized and converted to %
normalized_min
float
the extracted minimum bioavailability value (if a range was provided) normalized and converted to %
normalized_max
float
the extracted maximum bioavailability value (if a range was provided) normalized and converted to %
normalized_unit
string
the extracted bioavailability unit normalized and converted to %
dose_value
float
dose value extracted from source text (i.e. the dose administered to test subjects)
dose_min
float
minimum dose value extracted from a range within the source text
dose_max
float
maximum dose value extracted from a range within the source text
dose_unit
string
unit of measurement for dose value(s) extracted from source text
normalized_dose_value
float
dose value normalized and converted to one of the following UCUM units: mg, mg/kg, mg/m2, [arb’U]/kg
normalized_dose_min
float
dose_min normalized and converted to one of the following UCUM units: mg, mg/kg, mg/m2, [arb’U]/kg
normalized_dose_max
float
dose_max normalized and converted to one of the following UCUM units: mg, mg/kg, mg/m2, [arb’U]/kg
normalized_dose_unit
string
dose_unit normalized and converted to one of the following UCUM units: mg, mg/kg, mg/m2, [arb’U]/kg
fda_label_reference
boolean
flag indicating values that are sourced from an FDA Approved drug product label
dosage_route_id
integer
foreign key to dosage_routes table
dosage_form_id
integer
foreign key to dosage_forms table
age_group
string
The age group of the subjects in which this bioavailability value was recorded, if available in the source text. Normalized to one of Unspecified, Premature, Adults (16-65), Seniors (65+), or the following FDA-defined age groups: Neonates, Infants, Children, Adolescents, Pediatric. May also be defined in the context of major life stages: Prepubertal, Postpubertal, Premenopausal, Perimenopausal, Menopausal, or Postmenopausal.
sex
string
The sex of the subjects in which this bioavailability value was recorded, if available in the source text. Can be one of: Female, Male, All, or Unspecified.
Structured clearance data is stored in the structured_pharmacology_clearances table. Clearance
(CL) is a measurement of the rate at which a drug leaves the body.
Each row in the structured_pharmacology_clearances table represents a single structured and
normalized CL data-point derived from the unstructured free-text clearance field of the
pharmacologies table.
Relationships
Column
Source
drug_id
drugs
dosage_form_id
dosage_forms
dosage_route_id
dosage_routes
Scholarly references are provided for the Structured Pharmacology - Clearance data represented
by the structured_pharmacology_clearances table via the reference tables.
Columns
Column
Type
Description
id
integer
row ID
drug_id
integer
foreign key to drugs table
value
float
clearance value extracted from source text when a discrete value is provided in the source text
min
float
the minimum clearance value extracted from a specified range provided in the source text. If the minimum value field is unspecified while a maximum value is indicated, the minimum value is indicated as zero.
max
float
the highest clearance value extracted from a specified range provided in the source text. If the maximum value field is unspecified while a minimum value is indicated, the maximum value should be considered as infinite.
unit
string
unit of measurement for clearance value(s) extracted from source text and standardized to Unified Code for Units of Measure (UCUM) units
normalized_value
float
the extracted clearance value normalized and converted to L/h, L/h/kg, or L/h/m2
normalized_min
float
the extracted minimum clearance value (if a range was provided) normalized and converted to L/h, L/h/kg, or L/h/m2
normalized_max
float
the extracted maximum clearance value (if a range was provided) normalized and converted to L/h, L/h/kg, or L/h/m2
normalized_unit
string
the extracted clearance unit normalized and converted to L/h, L/h/kg, or L/h/m2
dose_value
float
dose value extracted from source text (i.e. the dose administered to test subjects)
dose_min
float
minimum dose value extracted from within the source text when a range is provided
dose_max
float
maximum dose value extracted from within the source text when a range is provided
dose_unit
string
unit of measurement for dose value(s) extracted from source text
normalized_dose_value
float
dose value normalized and converted to one of the following UCUM units: mg/mL, mg/kg, mg, [iU]/kg, [arb’U]/kg, mol/kg, mg/m2, [arb’U], [arb’U]/h, mg/kg/h
normalized_dose_min
float
dose_min normalized and converted to one of the following UCUM units: mg/mL, mg/kg, mg, [iU]/kg, [arb’U]/kg, mol/kg, mg/m2, [arb’U], [arb’U]/h, mg/kg/h
normalized_dose_max
float
dose_max normalized and converted to one of the following UCUM units: mg/mL, mg/kg, mg, [iU]/kg, [arb’U]/kg, mol/kg, mg/m2, [arb’U], [arb’U]/h, mg/kg/h
normalized_dose_unit
string
dose_unit normalized and converted to one of the following UCUM units: mg/mL, mg/kg, mg, [iU]/kg, [arb’U]/kg, mol/kg, mg/m2, [arb’U], [arb’U]/h, mg/kg/h
fda_label_reference
boolean
flag indicating values that are sourced from an FDA Approved drug product label
dosage_route_id
integer
foreign key to dosage_routes table
dosage_form_id
integer
foreign key to dosage_forms table
age_group
string
The age group of the subjects in which this clearance value was recorded, if available in the source text. Normalized to one of Unspecified, Premature, Adults (16-65), Seniors (65+), or the following FDA-defined age groups: Neonates, Infants, Children, Adolescents, Pediatric. May also be defined in the context of major life stages: Prepubertal, Postpubertal, Premenopausal, Perimenopausal, Menopausal, or Postmenopausal.
sex
string
The sex of the subjects in which this clearance value was recorded, if available in the source text. Can be one of: Female, Male, All, or Unspecified.
Structured pharmacokinetic data derived from text data stored in the absorption field of the pharmacologies table. Comprises maximum concentration (Cmax) values, a measurement of the peak serum concentration reached by a drug following its administration to a subject.
Structured Cmax data is stored in the structured_pharmacology_cmaxes
Relationships
Column
Source
drug_id
drugs
dosage_form_id
dosage_forms
dosage_route_id
dosage_routes
Scholarly references are provided for the Structured Pharmacology - Cmax data represented
by the structured_pharmacology_cmaxes table via the reference tables.
Columns
Column
Type
Description
id
integer
Row ID for table
drug_id
integer
Foreign key to drugs table
value
float
Cmax value extracted from the source text when a discrete value is provided
min
float
Minimum Cmax value extracted from a specified range provided in the source text. If the minimum value field is unspecified while a maximum value is specified, the minimum value will be indicated as zero.
max
float
Maximum Cmax value extracted from a specified range provided in the source text. If the maximum value field is unspecified while a minimum value is specified, the maximum value should be considered as infinite.
unit
string
Unit of measurement for Cmax value(s) extracted from source text and standardized to Unified Code for Units of Measure (UCUM) units
normalized_value
float
Extracted Cmax value normalized and converted to mg/L, mol/L, [iU]/L, mg/m2, or [arb'U]/L
normalized_min
float
Extracted minimum Cmax value (if a range was provided) normalized and converted to mg/L, mol/L, [iU]/L, mg/m2, or [arb'U]/L
normalized_max
float
Extracted maximum Cmax value (if a range was provided) normalized and converted to mg/L, mol/L, [iU]/L, mg/m2, or [arb'U]/L
dosage_form_id
integer
Foreign key to dosage_forms table
dose_value
float
Dose value extracted from the source text (i.e. the dose administered to test subjects)
dose_min
float
Minimum dose value extracted from a range within the source text
dose_max
float
Maximum dose value extracted from a range within the source text
dose_unit
string
Unit of measurement for dose value(s) extracted from source text
normalized_dose_value
float
Dose_value normalized and converted to one of the following UCUM units: mg/kg, mg, [arb'U]/kg, mg/m2, [iU]/m2
normalized_dose_min
float
Dose_min normalized and converted to one of the following UCUM units: mg/kg, mg, [arb'U]/kg, mg/m2, [iU]/m2
normalized_dose_max
float
Dose_max normalized and converted to one of the following UCUM units: mg/kg, mg, [arb'U]/kg, mg/m2, [iU]/m2
normalized_dose_unit
string
Dose_unit normalized
fda_label_reference
boolean
Flag indicating values that are sourced from an FDA approved drug product label
dosage_route_id
integer
Foreign key to dosage_routes table
dosage_form_id
integer
Foreign key to dosage_forms table
age_group
string
The age group of the subjects in which this Cmax value(s) was recorded, if available in the source text. Normalized to one of Unspecified, Premature, Adults (16-65), Seniors (65+), or the following FDA-defined age groups: Neonates, Infants, Children, Adolescents, Pediatric. May also be defined in the context of major life stages: Prepubertal, Postpubertal, Premenopausal, Perimenopausal, Menopausal, or Postmenopausal.
sex
string
The sex of the subjects in which this Cmax value(s) was recorded, if available in the source text. Can be one of: Female, Male, All, or Unspecified.
Structured half-life data is stored in the structured_pharmacology_half_lives table.
Half-life is a measurement of the time it takes for the concentration of a drug
in the body to be reduced by half.
Each row in the structured_pharmacology_half_lives table represents a single structured and
normalized half-life data-point derived from the unstructured free-text half_life field of the
pharmacologies table.
Relationships
Column
Source
drug_id
drugs
dosage_form_id
dosage_forms
dosage_route_id
dosage_routes
Scholarly references are provided for the Structured Pharmacology - Half-Life data represented
by the structured_pharmacology_half_lives table via the reference tables.
Columns
Column
Type
Description
id
integer
row ID
drug_id
integer
foreign key to drugs table
value
float
half-life value extracted from source text when a discrete value is provided in the source text
min
float
the minimum half-life value extracted from a specified range provided in the source text. If the minimum value field is unspecified while a maximum value is indicated, the minimum value is indicated as zero.
max
float
the highest half-life value extracted from a specified range provided in the source text. If the maximum value field is unspecified while a minimum value is indicated, the maximum value should be considered as infinite.
unit
string
unit of measurement for clearance value(s) extracted from source text and standardized to Unified Code for Units of Measure (UCUM) units
normalized_value
float
the extracted half-life value normalized and converted to hours (h)
normalized_min
float
the extracted minimum half-life value (if a range was provided) normalized and converted to hours (h)
normalized_max
float
the extracted maximum half-life value (if a range was provided) normalized and converted to hours (h)
normalized_unit
string
the extracted half-life unit normalized and converted to hours (h)
dose_value
float
dose value extracted from source text (i.e. the dose administered to test subjects)
dose_min
float
minimum dose value extracted from within the source text when a range is provided
dose_max
float
maximum dose value extracted from within the source text when a range is provided
dose_unit
string
unit of measurement for dose value(s) extracted from source text
normalized_dose_value
float
dose value normalized and converted to one of the following UCUM units: mg, mg/kg, [arb’U]/kg, mg/kg/h, mg/m2, [iU], [iU]/kg, [iU]/m2, mg/h
normalized_dose_min
float
dose_min normalized and converted to one of the following UCUM units: mg, mg/kg, [arb’U]/kg, mg/kg/h, mg/m2, [iU], [iU]/kg, [iU]/m2, mg/h
normalized_dose_max
float
dose_max normalized and converted to one of the following UCUM units: mg, mg/kg, [arb’U]/kg, mg/kg/h, mg/m2, [iU], [iU]/kg, [iU]/m2, mg/h
normalized_dose_unit
string
dose_unit normalized and converted to one of the following UCUM units: mg, mg/kg, [arb’U]/kg, mg/kg/h, mg/m2, [iU], [iU]/kg, [iU]/m2, mg/h
fda_label_reference
boolean
flag indicating values that are sourced from an FDA Approved drug product label
dosage_route_id
integer
foreign key to dosage_routes table
dosage_form_id
integer
foreign key to dosage_forms table
age_group
string
The age group of the subjects in which this half-life value was recorded, if available in the source text. Normalized to one of Unspecified, Premature, Adults (16-65), Seniors (65+), or the following FDA-defined age groups: Neonates, Infants, Children, Adolescents, Pediatric. May also be defined in the context of major life stages: Prepubertal, Postpubertal, Premenopausal, Perimenopausal, Menopausal, or Postmenopausal.
sex
string
The sex of the subjects in which this half-life value was recorded, if available in the source text. Can be one of: Female, Male, All, or Unspecified.
Structured median lethal dosage data is stored in the structured_pharmacology_median_lethal_dosages table.
Median lethal dosage (LD50) is a measurement of the dose of a drug that is lethal to 50% of the population.
Each row in the structured_pharmacology_median_lethal_dosages table represents a single structured and
normalized LD50 data-point derived from the unstructured free-text median_lethal_dosage field of the
pharmacologies table.
Relationships
Column
Source
drug_id
drugs
organism_id
organisms
dosage_route_id
dosage_routes
Scholarly references are provided for the Structured Pharmacology - Median Lethal Dosage data represented
by the structured_pharmacology_median_lethal_dosages table via the reference tables.
Columns
Column
Type
Description
id
integer
row ID
drug_id
integer
foreign key to drugs table
value
string
LD50 value extracted from source text when a discrete value is provided in the source text
min
float
the minimum LD50 value extracted from a specified range provided in the source text. If the minimum value field is unspecified while a maximum value is indicated, the minimum value is indicated as zero.
max
float
the highest LD50 value extracted from a specified range provided in the source text. If the maximum value field is unspecified while a minimum value is indicated, the maximum value should be considered as infinite.
unit
string
unit of measurement for LD50 value(s) extracted from source text
dosage_route_id
integer
foreign key to dosage_routes table
organism_id
integer
foreign key to organisms table
msds_reference
boolean
flag indicating values that are sourced from a material safety data sheet (MSDS) monograph
fda_label_reference
boolean
flag indicating values that are sourced from an FDA Approved drug product label
age_group
string
The age group of the subjects in which this LD50 value was recorded, if available in the source text. Normalized to one of Unspecified, Premature, Adults (16-65), Seniors (65+), or the following FDA-defined age groups: Neonates, Infants, Children, Adolescents, Pediatric. May also be defined in the context of major life stages: Prepubertal, Postpubertal, Premenopausal, Perimenopausal, Menopausal, or Postmenopausal.
sex
string
The sex of the subjects in which this LD50 value was recorded, if available in the source text. Can be one of: Female, Male, All, or Unspecified.
Structured pharmacokinetic data derived from text data stored in the protein_binding field of the pharmacologies table. Comprises protein binding data expressed as a percentage, which indicates the proportion of drug which is protein-bound following its administration.
Structured Protein Binding data is stored in the structured_pharmacology_protein_bindings
Relationships
Column
Source
drug_id
drugs
dosage_form_id
dosage_forms
dosage_route_id
dosage_routes
Scholarly references are provided for the Structured Pharmacology - Protein Binding data represented
by the structured_pharmacology_protein_bindings table via the reference tables.
Columns
Column
Type
Description
id
integer
Row ID for table
drug_id
integer
Foreign key to drugs table
value
float
Percent protein binding value extracted from the source text when a discrete value is provided
min
float
Minimum percent protein binding value extracted from a specified range provided in the source text. If the minimum value field is unspecified while a maximum value is specified, the minimum value will be indicated as zero.
max
float
Maximum percent protein binding value value extracted from a specified range provided in the source text. If the maximum value field is unspecified while a minimum value is specified, the maximum value should be considered as infinite.
unit
string
Unit of measurement for percent protein binding value(s) extracted from source text (i.e. percentage (%))
normalized_value
float
Same as non-normalized values. No conversion needed for percentages.
normalized_min
float
Same as non-normalized values. No conversion needed for percentages.
normalized_max
float
Same as non-normalized values. No conversion needed for percentages.
normalized_unit
string
Same as non-normalized values. No conversion needed for percentages.
dose_value
float
Dose value extracted from the source text (i.e. the dose administered to test subjects)
dose_min
float
Minimum dose value extracted from a range within the source text
dose_max
float
Maximum dose value extracted from a range within the source text
dose_unit
string
Unit of measurement for dose value(s) extracted from source text
normalized_dose_value
float
Dose_value normalized and converted to one of the following UCUM units: mg, mg/kg
normalized_dose_min
float
Dose_min normalized and converted to one of the following UCUM units: mg, mg/kg
normalized_dose_max
float
Dose_max normalized and converted to one of the following UCUM units: mg, mg/kg
normalized_dose_unit
string
Dose_unit normalized
fda_label_reference
boolean
Flag indicating values that are sourced from an FDA approved drug product label
dosage_route_id
integer
Foreign key to dosage_routes table
dosage_form_id
integer
Foreign key to dosage_forms table
age_group
string
The age group of the subjects in which this protein binding value was recorded, if available in the source text. Normalized to one of Unspecified, Premature, Adults (16-65), Seniors (65+), or the following FDA-defined age groups: Neonates, Infants, Children, Adolescents, Pediatric. May also be defined in the context of major life stages: Prepubertal, Postpubertal, Premenopausal, Perimenopausal, Menopausal, or Postmenopausal.
sex
string
The sex of the subjects in which this protein binding value was recorded, if available in the source text. Can be one of: Female, Male, All, or Unspecified.
Structured Pharmacology - Protein Binding Bio Entity Mentions
The structured_pharmacology_protein_bindings_bio_entities table contains all the bio-entities that were mentioned in a specific pharmacology protein binding. Bio-entities in DrugBank describe biological entities that may relate to drugs. Bioentities can be proteins (peptides/polypeptides), protein groups, small molecules, nucleotides, or groupings.
Relationships
Column
Source
structured_pharmacology_protein_binding_id
structured_pharmacology_protein_bindings
biodb_id
bio_entities
Columns
Column
Type
Description
structured_pharmacology_protein_binding_id
integer
Structured Pharmacology - Protein Binding identifier.
Structured pharmacokinetic data derived from text data stored in the route_of_elimination field of the pharmacologies table. Comprises route of elimination data expressed as a percentage, which indicates the proportion of drug eliminated by different elimination routes (e.g. in the urine or feces).
Structured Route of Elimination data is stored in the structured_pharmacology_route_of_eliminations.csv
Relationships
Column
Source
drug_id
drugs
dosage_form_id
dosage_forms
dosage_route_id
dosage_routes
Scholarly references are provided for the Structured Pharmacology - Route of Elimination data represented
by the structured_pharmacology_route_of_eliminations.csv table via the reference tables.
Columns
Column
Type
Description
id
integer
Row ID for table
drug_id
integer
Foreign key to drugs table
elimination_type
string
The route of elimination extracted from the source text and standardized to one of the following types: Urine, Feces, Respiration, Tears, Perspiration, Saliva, Milk, or Liver
importance
string
The relative importance of this elimination route to the overall elimination of the drug. Can be one of: Major, Minor, or Unspecified. Major importance indicates a route by which >50% of a drug is eliminated, while minor importance indicates routes that play a lesser role relative to the major route. Unspecified importance indicates uncertainty or incomplete identification in the elimination process.
value
float
Percent route of elimination value extracted from the source text when a discrete value is provided
min
float
Minimum percent route of elimination value extracted from a specified range provided in the source text. If the minimum value field is unspecified while a maximum value is specified, the minimum value will be indicated as zero.
max
float
Maximum percent route of elimination value value extracted from a specified range provided in the source text. If the maximum value field is unspecified while a minimum value is specified, the maximum value should be considered as infinite.
unit
string
Unit of measurement for percent route of elimination value(s) extracted from source text (i.e. percentage (%))
normalized_value
float
Same as non-normalized values. No conversion needed for percentages.
normalized_min
float
Same as non-normalized values. No conversion needed for percentages.
normalized_max
float
Same as non-normalized values. No conversion needed for percentages.
normalized_unit
string
Same as non-normalized values. No conversion needed for percentages.
dose_value
float
Dose value extracted from the source text (i.e. the dose administered to test subjects)
dose_min
float
Minimum dose value extracted from a range within the source text
dose_max
float
Maximum dose value extracted from a range within the source text
dose_unit
string
Unit of measurement for dose value(s) extracted from source text
normalized_dose_value
float
Dose_value normalized and converted to one of the following UCUM units: mg, mg/m2
normalized_dose_min
float
Dose_min normalized and converted to one of the following UCUM units: mg, mg/m2
normalized_dose_max
float
Dose_max normalized and converted to one of the following UCUM units: mg, mg/m2
normalized_dose_unit
string
Dose_unit normalized
fda_label_reference
boolean
Flag indicating values that are sourced from an FDA approved drug product label
dosage_route_id
integer
Foreign key to dosage_routes table
dosage_form_id
integer
Foreign key to dosage_forms table
age_group
string
The age group of the subjects in which this route of elimination value was recorded, if available in the source text. Normalized to one of Unspecified, Premature, Adults (16-65), Seniors (65+), or the following FDA-defined age groups: Neonates, Infants, Children, Adolescents, Pediatric. May also be defined in the context of major life stages: Prepubertal, Postpubertal, Premenopausal, Perimenopausal, Menopausal, or Postmenopausal.
sex
string
The sex of the subjects in which this route of elimination value was recorded, if available in the source text. Can be one of: Female, Male, All, or Unspecified.
Structured pharmacokinetic data derived from text data stored in the absorption field of the pharmacologies table. Comprises time to maximum concentration (Tmax) values, a measurement of the time it takes for a drug to reach its maximum serum concentration (Cmax).
Structured Tmax data is stored in the structured_pharmacology_tmaxes
Relationships
Column
Source
drug_id
drugs
dosage_form_id
dosage_forms
dosage_route_id
dosage_routes
Scholarly references are provided for the Structured Pharmacology - Tmax data represented
by the structured_pharmacology_tmaxes table via the reference tables.
Columns
Column
Type
Description
id
integer
Row ID for table
drug_id
integer
Foreign key to drugs table
value
float
Tmax value extracted from the source text when a discrete value is provided
min
float
Minimum Tmax value extracted from a specified range provided in the source text. If the minimum value field is unspecified while a maximum value is specified, the minimum value will be indicated as zero.
max
float
Maximum Tmax value extracted from a specified range provided in the source text. If the maximum value field is unspecified while a minimum value is specified, the maximum value should be considered as infinite.
unit
string
Unit of measurement for Tmax value(s) extracted from source text and standardized to Unified Code for Units of Measure (UCUM) units
normalized_value
float
Extracted Tmax value normalized and converted to hours
normalized_min
float
Extracted minimum Tmax value (if a range was provided) normalized and converted to hours
normalized_max
float
Extracted maximum Tmax value (if a range was provided) normalized and converted to hours
normalized_unit
string
Extracted Tmax unit normalized and converted to hours
dose_value
float
Dose value extracted from the source text (i.e. the dose administered to test subjects)
dose_min
float
Minimum dose value extracted from a range within the source text
dose_max
float
Maximum dose value extracted from a range within the source text
dose_unit
string
Unit of measurement for dose value(s) extracted from source text
normalized_dose_value
float
Dose_value normalized and converted to one of the following UCUM units: [arb'U]/kg, mg/kg, mg, mg/m2, [iU]/m2
normalized_dose_min
float
Dose_min normalized and converted to one of the following UCUM units: [arb'U]/kg, mg/kg, mg, mg/m2, [iU]/m2
normalized_dose_max
float
Dose_max normalized and converted to one of the following UCUM units: [arb'U]/kg, mg/kg, mg, mg/m2, [iU]/m2
normalized_dose_unit
string
Dose_unit normalized
fda_label_reference
boolean
Flag indicating values that are sourced from an FDA approved drug product label
dosage_route_id
integer
Foreign key to dosage_routes table
dosage_form_id
integer
Foreign key to dosage_forms table
age_group
string
The age group of the subjects in which this Tmax value was recorded, if available in the source text. Normalized to one of Unspecified, Premature, Adults (16-65), Seniors (65+), or the following FDA-defined age groups: Neonates, Infants, Children, Adolescents, Pediatric. May also be defined in the context of major life stages: Prepubertal, Postpubertal, Premenopausal, Perimenopausal, Menopausal, or Postmenopausal.
sex
string
The sex of the subjects in which this Tmax value was recorded, if available in the source text. Can be one of: Female, Male, All, or Unspecified.
Structured volume of distribution data is stored in the structured_pharmacology_volume_of_distributions table.
Volume of distribution (Vd) is a measurement of the apparent space in the body available to contain the drug.
Each row in the structured_pharmacology_volume_of_distributions table represents a single structured and
normalized Vd data-point derived from the unstructured free-text volume_of_distribution field of the
pharmacologies table.
Relationships
Column
Source
drug_id
drugs
dosage_form_id
dosage_forms
dosage_route_id
dosage_routes
Scholarly references are provided for the Structured Pharmacology - Volume of Distribution data represented
by the structured_pharmacology_volume_of_distributions table via the reference tables.
Columns
Column
Type
Description
id
integer
row ID
drug_id
integer
foreign key to drugs table
value
float
Vd value extracted from source text when a discrete value is provided in the source text
min
float
the minimum Vd value extracted from a specified range provided in the source text. If the minimum value field is unspecified while a maximum value is indicated, the minimum value is indicated as zero.
max
float
the highest Vd value extracted from a specified range provided in the source text. If the maximum value field is unspecified while a minimum value is indicated, the maximum value should be considered as infinite.
unit
string
unit of measurement for Vd value(s) extracted from source text and standardized to Unified Code for Units of Measure (UCUM) units
normalized_value
float
the extracted Vd value normalized and converted to L/kg, L, L/m2, L/cm3
normalized_min
float
the extracted minimum Vd value (if a range was provided) normalized and converted to L/kg, L, L/m2, L/cm3
normalized_max
float
the extracted maximum Vd value (if a range was provided) normalized and converted to L/kg, L, L/m2, L/cm3
normalized_unit
string
the extracted Vd unit normalized and converted to L/kg, L, L/m2, L/cm3
dose_value
float
dose value extracted from source text (i.e. the dose administered to test subjects)
dose_min
float
minimum dose value extracted from a range within the source text
dose_max
float
maximum dose value extracted from a range within the source text
dose_unit
string
unit of measurement for dose value(s) extracted from source text
normalized_dose_value
float
dose value normalized and converted to one of the following UCUM units: [iU], [iU]/kg, mg, mg/kg, mg/kg/h, mg/m2, [arb’U]/kg
normalized_dose_min
float
dose_min normalized and converted to one of the following UCUM units: [iU], [iU]/kg, mg, mg/kg, mg/kg/h, mg/m2, [arb’U]/kg
normalized_dose_max
float
dose_max normalized and converted to one of the following UCUM units: [iU], [iU]/kg, mg, mg/kg, mg/kg/h, mg/m2, [arb’U]/kg
normalized_dose_unit
string
dose_unit normalized and converted to one of the following UCUM units: [iU], [iU]/kg, mg, mg/kg, mg/kg/h, mg/m2, [arb’U]/kg
fda_label_reference
boolean
flag indicating values that are sourced from an FDA Approved drug product label
dosage_route_id
integer
foreign key to dosage_routes table
dosage_form_id
integer
foreign key to dosage_forms table
age_group
string
The age group of the subjects in which this Vd value was recorded, if available in the source text. Normalized to one of Unspecified, Premature, Adults (16-65), Seniors (65+), or the following FDA-defined age groups: Neonates, Infants, Children, Adolescents, Pediatric. May also be defined in the context of major life stages: Prepubertal, Postpubertal, Premenopausal, Perimenopausal, Menopausal, or Postmenopausal.
sex
string
The sex of the subjects in which this Vd value was recorded, if available in the source text. Can be one of: Female, Male, All, or Unspecified.
subject_drug_id,affected_drug_id,subject_drug_accession,affected_drug_accession,description 1,1323,DB00001,DB01323,The metabolism of Lepirudin can be increased when combined with St. John's Wort. 1,346,DB00001,DB00346,The serum concentration of Alfuzosin can be increased when it is combined with Lepirudin. 1,604,DB00001,DB00604,The serum concentration of Cisapride can be increased when it is combined with Lepirudin.
subject_drug_id
affected_drug_id
subject_drug_accession
affected_drug_accession
description
1
1323
DB00001
DB01323
The metabolism of Lepirudin can be increased when combined with St. John's Wort.
1
346
DB00001
DB00346
The serum concentration of Alfuzosin can be increased when it is combined with Lepirudin.
1
604
DB00001
DB00604
The serum concentration of Cisapride can be increased when it is combined with Lepirudin.
Drug-drug interactions detailing drugs that, when administered concomitantly with the drug of interest, will affect its activity or result in adverse effects. These interactions may be synergistic or antagonistic depending on the physiological effects and mechanism of action of each drug.
The drug_interactions table ties pairs of drugs with a description of the interaction between them. Each row represents a single drug-drug interaction. This is a simplified/unstructured form of the data available in structured_drug_interactions.
Relationships
Column
Source
subject_drug_id
drugs
affected_drug_id
drugs
Columns
Column
Type
Description
subject_drug_id
integer
The drug which creates the interaction.
affected_drug_id
integer
The drug which is affected by the interaction.
subject_drug_accession
string
Subject drug accession number
affected_drug_accession
string
Affected drug accession number
description
string
Textual description of the physiological consequences of the drug interaction.
22508307,503,DB00503,Ritonavir,,1048,DB01048,Abacavir,,The serum concentration of Abacavir can be decreased when it is combined with Ritonavir.,"Studies suggest a potential interaction between some combination protease inhibitors (ritonavir/darunavir). The mechanism is not clear nor studied and it is suggested not to be clinically relevant. In some individuals, the reported reduction is of 27%. [A33439] Some other reports indicate that this interaction may be related to its binding to serum albumin but studies need to be performed.[A19948]",minor,2,No management is necessary. Monitor patient.,decrease_serum_concentration,552,, 22823799,268,DB00268,Ropinirole,,675,DB00675,Tamoxifen,,The metabolism of Tamoxifen can be decreased when combined with Ropinirole.,"The subject drug is a known moderate CYP2D6 inhibitor and the affected drug is metabolized by CYP2D6. Hence, concomitant administration of these agents may produce a moderate decrease in the metabolic rate of the affected drug which can derive in an accumulation of serum concentration and an increase in the risk or potency of the side effects.",moderate,2,"It is recommended to search for therapy alternatives to this combination. If the combination therapy is required, patient monitoring is recommended and a reduction in the dosage of the affected drug is advised. Any reductions in the dosage should be based on the dosage information observed in the product monograph.",decrease_dynamics,2625,2623, 22829280,503,DB00503,Ritonavir,,675,DB00675,Tamoxifen,,The metabolism of Tamoxifen can be decreased when combined with Ritonavir.,"The subject drug is a known strong CYP2D6 inhibitor and the affected drug is metabolized by CYP2D6. Hence, concomitant administration of these agents may produce a strong decrease in the metabolic rate of the affected drug which can derive in an accumulation of serum concentration and an increase in the risk or potency of the side effects.",major,2,"Avoid concomitant administration of these drugs, it is highly recommended to search for therapy alternatives to this combination. If the combination therapy is required, clinical monitoring is suggested. Any changes in patient response or main changes in serum concentration can be an indication for significant dose reduction or treatment suspension.",decrease_dynamics,2624,2623,
id
subject_drug_id
subject_drug_drugbank_id
subject_drug_name
subject_dosage
affected_drug_id
affected_drug_drugbank_id
affected_drug_name
affected_dosage
summary
extended_description
severity
evidence_level
management
action
subject_category_id
affected_category_id
conditions
22508307
503
DB00503
Ritonavir
1048
DB01048
Abacavir
The serum concentration of Abacavir can be decreased when it is combined with Ritonavir.
Studies suggest a potential interaction between some combination protease inhibitors (ritonavir/darunavir). The mechanism is not clear nor studied and it is suggested not to be clinically relevant. In some individuals, the reported reduction is of 27%. [A33439] Some other reports indicate that this interaction may be related to its binding to serum albumin but studies need to be performed.[A19948]
minor
2
No management is necessary. Monitor patient.
decrease_serum_concentration
552
22823799
268
DB00268
Ropinirole
675
DB00675
Tamoxifen
The metabolism of Tamoxifen can be decreased when combined with Ropinirole.
The subject drug is a known moderate CYP2D6 inhibitor and the affected drug is metabolized by CYP2D6. Hence, concomitant administration of these agents may produce a moderate decrease in the metabolic rate of the affected drug which can derive in an accumulation of serum concentration and an increase in the risk or potency of the side effects.
moderate
2
It is recommended to search for therapy alternatives to this combination. If the combination therapy is required, patient monitoring is recommended and a reduction in the dosage of the affected drug is advised. Any reductions in the dosage should be based on the dosage information observed in the product monograph.
decrease_dynamics
2625
2623
22829280
503
DB00503
Ritonavir
675
DB00675
Tamoxifen
The metabolism of Tamoxifen can be decreased when combined with Ritonavir.
The subject drug is a known strong CYP2D6 inhibitor and the affected drug is metabolized by CYP2D6. Hence, concomitant administration of these agents may produce a strong decrease in the metabolic rate of the affected drug which can derive in an accumulation of serum concentration and an increase in the risk or potency of the side effects.
major
2
Avoid concomitant administration of these drugs, it is highly recommended to search for therapy alternatives to this combination. If the combination therapy is required, clinical monitoring is suggested. Any changes in patient response or main changes in serum concentration can be an indication for significant dose reduction or treatment suspension.
decrease_dynamics
2624
2623
Structured drug-drug interactions detailing drugs that, when administered concomitantly with the drug of interest, will affect its activity or result in adverse effects. These interactions may be synergistic or antagonistic depending on the physiological effects and mechanism of action of each drug.
The structured_drug_interactions table ties pairs of drugs with a structured description of the interaction between them. Each row represents a single structured drug-drug interaction.
Relationships
Column
Source
subject_drug_id
drugs
affected_drug_id
drugs
affected_category_id
categories
subject_category_id
categories
Scholarly references are provided for the structured drug-drug interactions represented by the structured_drug_interactions table via the reference tables.
Columns
Column
Type
Description
id
int
primary key
subject_drug_id
int
The drug which creates the interaction.
subject_dosage
string
Dosage form or dosage quantitiy that will be mainly producing the interaction.
affected_drug_id
int
The drug which is affected by the interaction.
affected_dosage
string
Dosage form or dosage quantitiy that will be mainly affected by the interaction.
summary
text
A short summary of the interaction and its effects.
extended_description
text
Extended descrciption of the mechanism of action and particular properties of the drug interaction.
severity
string
The severity of this drug interaction; either minor, moderate, or major.
evidence_level
int
Level of evidence for the structured interaction. An evidence level of 1 indicates that the interaction is mentioned in the drug monograph (FDA, Health Canada, EMA, etc) and has been confirmed in clinical studies (cohort, case-control, case study etc.) An evidence level of 2 indicates that the interaction has been confirmed in at least 1 cohort, case-control, or case study and may or may not be mentioned in a drug monograph.
management
text
Clinical recommendation when the concomitant administration of the drugs is considered.
action
string
The resulting effect of this interaction on the pharmacological activity of the drug.
subject_category_id
int
For interactions based on a drug-category or category-category interaction, the category that affected-drug belongs to which is the basis for this interaction.
affected_category_id
int
For interactions based on a drug-category or category-category interaction, the category that affected-drug belongs to which is the basis for this interaction.
conditions
text
Patient conditions that will produce a more significant effect on the interaction.
Severity
Interaction severity is represented with a string value. These values and their interpretation are listed below:
Severity
Value
Risk Level
Description
Minor
minor
observe and adjust
These medications may interact in a clinically significant manner, however, the benefits of concomitant use usually outweigh any risks. A monitoring plan should be put in place and dosage adjustments may be needed.
Moderate
moderate
adjustment should be considered
The benefits of continuing concomitant therapy should be evaluated on an individual basis. Actions such as aggressive observation, dosage changes, or alternative medications may need to be taken.
Major
major
combination should be avoided
Concomitant therapy with this combination may cause more harm than benefit and alternative medications or means of therapy should be employed.
Evidence Level
Interaction evidence level is represented with an integer value. These values and their interpretations are listed below.
Evidence Level
Definition
1
Mentioned in the the drug monograph (FDA, Health Canada, EMA, etc) and has been confirmed in clinical studies (cohort, case-control, case study etc.)
2
Has been confirmed in at least 1 cohort, case-control, or case study and may or not be mentioned in a drug monograph.
The food_interactions table provides a list of food-drug interaction descriptions.
Relationships
Column
Source
drug_id
drugs
Columns
Column
Type
Description
id
integer
drug_id
integer
description
string
Structured PIM Warnings
Structured data representing warnings from lists of “Potentially Inappropriate Medications.” PIM warnings may include specific criteria as to when they apply, as well as potential risks, contraindications, or interactions. Generally, these warnings apply to seniors. This age-group restriction is represented in the pim_warning_attributes table.
00a26280-b9a0-4e34-bb25-cb74a865e002,12636,,eu7_pim,pim,,,,Avoid except for short periods of usage.,"Side effects such as dizziness, insomnia, anorexia","Caution if marked renal insufficiency. Use only for short periods.","Non-pharmacological measures, e.g. diet.",,,,,,,, 033449bc-36de-4d3d-b234-990c644a23a5,6210,,eu7_pim,pim,,,,Avoid,"Unfavourable risk/benefit profile, especially for adults aged 75 and older",,Clopidogrel; aspirin (<325mg).,,,,,,,,
id
drug_id
category_id
source
kind
evidence_level
severity
timeline
description
motivation
considerations
alternatives
precisions
sex_group
min_age_amount
min_age_unit
max_age_amount
max_age_unit
min_dose
min_daily_dose
00a26280-b9a0-4e34-bb25-cb74a865e002
12636
eu7_pim
pim
Avoid except for short periods of usage.
Side effects such as dizziness, insomnia, anorexia
Caution if marked renal insufficiency. Use only for short periods.
Non-pharmacological measures, e.g. diet.
033449bc-36de-4d3d-b234-990c644a23a5
6210
eu7_pim
pim
Avoid
Unfavourable risk/benefit profile, especially for adults aged 75 and older
Clopidogrel; aspirin (<325mg).
Each row in the structured_pim_warnings file represents a structured pim warning for a drug or a drug category. Therefore, the PIM warnings for a drug are all those which match the drug directly, as well as any PIM warnings for any of the categories to which the drug belongs.
Severity of warning. weak: 0, strong: 5, null: unknown severity.
timeline
string
The timeline of usage to which this warning applies.
description
text
(Optional) A description of what drugs/categories are being warned against.
motivation
string
Description of why this warning exists.
considerations
string
Other considerations that may attenuate the strength of the warning.
alternatives
string
Suggestions of alternative drugs/categories to be used instead of the drug.
precisions
string
Additional details limiting the scope of the warning.
sex_group
string
Sex group to which this warning applies.
min_age_amount
int
min_age_unit
string
max_age_amount
int
max_age_unit
string
min_dose
string
Minimum single dose at which this warning applies.
min_daily_dose
string
Minimum daily dose at which this warning applies.
The following kinds of PIM warnings exist:
pim : indicates a drug may be inappropriate
pim_caution : indicates a drug requires additional caution
The min/max age amount/unit columns form minimum and maximum ages for the PIM warning.
Value
Columns
Description
min_age
min_age_amount, min_age_unit
Minimum age of patients for this PIM warning to apply.
max_age
max_age_amount, max_age_unit
Maximum age of patients for this PIM warning to apply.
Sources
The following sources have been used in the preparation of the PIM data.
Source
Description
eu7_pim
An open-access PIM list based on the German PRISCUS list of potentially inappropriate medications and other PIM lists from the USA, Canada and France, in addition to expert input.
PIM warnings have a number of optional, string array-valued attributes which cannot be represented in a single column. These are represented using the pim_warning_attributes table. Each row represents one value element of the array in a given attribute.
Relationships
Column
Source
pim_warning_id
structured_pim_warnings
Columns
Column
Type
Description
pim_warning_id
string
relationship
string
Identifies the type of relationship
value
string
The string value of the attribute
Relationship Types
Several attributes are represented in the pim_warning_attributes table. The relationship column can take one of the following values:
Relationship Type
Description
route
Routes (eg. oral) which this PIM applies to.
dose_form
Dose forms (eg. tablet) which this PIM applies to.
Structured PIM warnings can include relationships with numerous conditions.
Each one of these condition-warning relationships is represented as a row in the pim_warning_conditions table.
Relationships
Column
Source
pim_warning_id
structured_pim_warnings
condition_id
conditions
Columns
Column
Type
Description
pim_warning_id
string
condition_id
int
relationship
string
Identifies they type of relationship
Relationship Types
The relationship column can take one of the following values:
Relationship Type
Description
patient_condition
A condition the patient must have for this PIM to apply.
Certain PIM warnings are specific to combinations of drugs, and this information is represented in the pim_warning_drugs table. Each row represents one warning-drug relationship.
Certain PIM warnings are specific to combinations of certain categories of drugs, and this information is represented in the pim_warning_categories table. Each row represents one warning-category relationship.
Pathway drugs are found in the pathway_drugs table.
Relationships
Column
Source
smpdb_id
pathways
drug_id
drugs
Columns
Column
Type
Description
smpdb_id
string
drug_id
integer
Products
Product information is mainly available in two separate tables. The products table contains product information, while the ingredients table joins drugs and salts to products, along with dosage information.
In addition, more granular route and form information is available using the dosage_routes, dosage_forms, dosage_routes_products and dosage_forms_products tables.
Injection, powder, for suspension, extended release
55496116e735ee46c28bf0b9589f4319
Intramuscular
0
0
1
Canada
00836273
0
02-Nov-2012
Prescription
Leuprolide acetate 7.5 mg Injection [Lupron]
good
MARKETED
1
1
0
0
0
0
0
1
1
87154
1808
Apo-tamox Tab 10mg
31-Dec-1989
Tablet
9c52330dbc67996b9644be237fdf53a5
Oral
1
0
1
Canada
00812404
0
Prescription
Tamoxifen 10 mg Oral Tablet
good
MARKETED
0
1
0
0
0
0
0
1
1
Products are found in the products table.
Relationships
Column
Source
labeller_id
labellers
Columns
The generic, otc, approved, mixture, branded, prescription, unapproved, vaccine, allergenic, cosmetic,
kit, solo, and available are boolean product filter fields, which can be useful in limiting search
results or analysis to certain types of products.
Column
Type
Description
id
int
labeller_id
int
name
string
The proprietary name(s) provided by the manufacturer for any commercially available products containing this drug.
Indicates whether this drug has been approved by the regulating government.
country
string
The country where this commercially available drug has been approved.
dpd_id
string
Drug Product Database (DPD) identification number from the Canadian Drug Product Database. Only present for drugs that are marketed in Canada.
mixture
boolean
Whether this product is a mixture of multiple active ingredients
approved_on
date
schedule
string
The schedule of this product in its jurisdiction
prescribable_name
string
ema_product_code
string
EMA product code from the European Medicines Agency Database. Only present for products that are authorised by central procedure for marketing in the European Union.
ema_ma_number
string
EMA marketing authorisation number from the European Medicines Agency Database. Only present for products that are authorised by central procedure for marketing in the European Union.
standing
string
One of good, discordant, or deprecated. Distinguishes products with up to date ingredient information (good) from products with conflicting information (discordant) or products that have been removed from an active label (deprecated).
standing_updated_on
date
The date on which the standing was last updated
standing_reason
string
Explains the non-good standing of the product. One of: ingredient_change, code_duplication, invalid, or removed.
jurisdiction_marketing_category
string
The marketing category of this product in its jurisdiction
branded
boolean
Whether this product has a named brand
prescription
boolean
Whether this product is only available with a prescription
unapproved
boolean
Whether this product is not approved in its jurisdiction
vaccine
boolean
Whether this product is a vaccine
allergenic
boolean
Whether this product is used in allergenic testing
cosmetic
boolean
Whether this product is a cosmetic, such as sunscreen
kit
boolean
Whether this product is a kit composed of multiple distinct parts
solo
boolean
Whether this product has only a single active ingredient
available
boolean
Whether this product can be sold in its jurisdiction
A list of commercially available products in Canada and the United States that contain the drug.
Ingredients are found in the ingredients table. Supplemental ingredients,
active ingredients which do not contribute to the main indication of the product,
can be distinguished by their 0 value in the clinically_relevant column.
Relationships
Column
Source
drug_id
drugs
salt_id
salts
product_id
products
Columns
Column
Type
Description
id
int
drug_id
int
salt_id
int
product_id
int
strength
string
Describes the strength of this ingredient in the product.
strength_number
string
Numerical strength amount of ingredient in the product.
strength_unit
string
Units of string of of ingredient in the product.
clinically_relevant
boolean
A flag indicating that this ingredient is clinically relevant to the main indication of a product.
id,name,short_name,definition 1,Aerosol,AER,"A product that is packaged under pressure and contains therapeutically active ingredients that are released upon activation of an appropriate valve system; it is intended for topical application to the skin as well as local application into the nose (nasal aerosols), mouth (lingual aerosols), or lungs (inhalation aerosols)." 2,"Aerosol, foam",AER FOAM,"A dosage form containing one or more active ingredients, surfactants, aqueous or nonaqueous liquids, and the propellants; if the propellant is in the internal (discontinuous) phase (i.e., of the oil-in-water type), a stable foam is discharged, and if the propellant is in the external (continuous) phase (i.e., of the water-in-oil type), a spray or a quick-breaking foam is discharged." 3,"Aerosol, metered",AER MET,A pressurized dosage form consisting of metered dose valves which allow for the delivery of a uniform quantity of spray upon each activation.
id
name
short_name
definition
1
Aerosol
AER
A product that is packaged under pressure and contains therapeutically active ingredients that are released upon activation of an appropriate valve system; it is intended for topical application to the skin as well as local application into the nose (nasal aerosols), mouth (lingual aerosols), or lungs (inhalation aerosols).
2
Aerosol, foam
AER FOAM
A dosage form containing one or more active ingredients, surfactants, aqueous or nonaqueous liquids, and the propellants; if the propellant is in the internal (discontinuous) phase (i.e., of the oil-in-water type), a stable foam is discharged, and if the propellant is in the external (continuous) phase (i.e., of the water-in-oil type), a spray or a quick-breaking foam is discharged.
3
Aerosol, metered
AER MET
A pressurized dosage form consisting of metered dose valves which allow for the delivery of a uniform quantity of spray upon each activation.
Dosage forms describe the physical forms a drug product can take.
id,name,short_name,definition,effect_classification 1,Auricular (otic),OTIC,Administration to or by way of the ear.,Topical 2,Buccal,BUCCAL,"Administration directed toward the cheek, generally from within the mouth.",Enteral 3,Conjunctival,CONJUNC,"Administration to the conjunctiva, the delicate membrane that lines the eyelids and covers the exposed surface of the eyeball.",Topical
id
name
short_name
definition
effect_classification
1
Auricular (otic)
OTIC
Administration to or by way of the ear.
Topical
2
Buccal
BUCCAL
Administration directed toward the cheek, generally from within the mouth.
Enteral
3
Conjunctival
CONJUNC
Administration to the conjunctiva, the delicate membrane that lines the eyelids and covers the exposed surface of the eyeball.
Topical
Dosage routes describe the routes through which a drug product can be administered.
Dosage routes are found in the dosage_routes table.
Labellers describe the manufacturer, repackager, relabeler or the named company that appears on a product label.
Columns
Column
Type
Description
id
int
name
string
Named manufacturer, repackager, relabeler or labeler
url
string
Link to labellers website
Products Concepts
Product concepts describe a distinct group of features for one or more products. Product concepts create a vocabulary of drugs, products and brands, offering a hierarchical structure that enables easy navigation and the comparison of products.
About Product Concepts
DrugBank ID
Title
Level
Ingredients?
Exact Ingredients?
Strength?
Route?
Form?
Brand?
DBPC0017857
Tamoxifen
1
yes
no
no
no
no
no
DBPC0017859
Tamoxifen 10 mg
2
yes
no
yes
no
no
no
DBPC0017861
Tamoxifen Oral
2
yes
no
no
yes
no
no
DBPC0103411
Tamoxifen Tablet
2
yes
no
no
no
yes
no
DBPC0017858
Tamoxifen citrate
2
yes
yes
no
no
no
no
DBPC0017863
Tamoxifen 10 mg Oral
3
yes
no
yes
yes
no
no
DBPC0104223
Tamoxifen 10 mg Tablet
3
yes
no
yes
no
yes
no
DBPC0103415
Tamoxifen Oral Tablet
3
yes
no
no
yes
yes
no
DBPC0017860
Tamoxifen citrate 10 mg
3
yes
yes
yes
no
no
no
DBPC0017862
Tamoxifen citrate Oral
3
yes
yes
no
yes
no
no
DBPC0103412
Tamoxifen citrate Tablet
3
yes
yes
no
no
yes
no
DBPC0104225
Tamoxifen 10 mg Oral Tablet
4
yes
no
yes
yes
yes
no
DBPC0017864
Tamoxifen citrate 10 mg Oral
4
yes
yes
yes
yes
no
no
DBPC0104224
Tamoxifen citrate 10 mg Tablet
4
yes
yes
yes
no
yes
no
DBPC0103416
Tamoxifen citrate Oral Tablet
4
yes
yes
no
yes
yes
no
DBPC0104226
Tamoxifen citrate 10 mg Oral Tablet
5
yes
yes
yes
yes
yes
no
Product concepts enable you to flexibly represent and query drug products. With them, you can:
use a stable vocabulary which abstracts over many equivalent or similar products
easily navigate between related products, at varying and specifiable levels of similarity
filter products at increasing levels of detail by taking advantage of the hierarchy of product concepts
The basis of product concepts is their many-to-many relationship to products. Each product has many product concepts, each of which match that product in a specific way. Each product concept can be shared between multiple products - if the products are similar enough. Each product concept describes a specific subset of the properties of the products it is matched to. The connection between product and product concept is derived directly from the properties that make up the two objects.
For instance, the US product with the NDC product code 51862-449 has 16 product concepts. These are listed in the table to the right. In this case, the product is not branded, so there are no product concepts with a brand. Each product concept offers a view into the product.
The value of the level property indicates how many fields are set in the product concept. The most general product concept, DBPC0017857 Tamoxifen will be shared between all products which contain Tamoxifen as their sole active ingredient. As the level increases, the product concept becomes more specific, and generally, it will match fewer products. Product concepts are derived from products, so there is a direct correspondance between the properties of the product concept and the properties of the products it is mapped to.
Product concepts can therefore be used as both a filtered version of a specific product (eg. specifying the ingredients and route, but not the form or strength), or as a search filter which can find all products matching a given criteria.
Finally, product concepts are connected in a tree structure. Each level 5 concept is a child of one or more level 4 concepts, which is a child of one or more level 3 concepts, and so on. A child concept adds one single field to its parent concepts. For instance, the level 4 DBPC0103416 Tamoxifen citrate Oral Tablet is a child of the level 3 concept DBPC0103412 Tamoxifen citrate Oral - it adds the form Tablet. It is also a child of the level 3 concept DBPC0103412 Tamoxifen citrate Tablet - to this parent it adds the route Oral.
Represents the many-to-many relationship between product concepts. This relationship forms the basis of the product concept hierarchy. A child has many parents. For any parent and child pair, the child has all the same attributes as the parent, with one additional attribute being set. For instance, a child may add route information to the information provided by the parent.
Product concept children are found in the product_concept_children table.
Occasionally, a Drug or Salt is revoked from DrugBank. When this occurs, any
Product Concept which incorporated the now-revoked ingredient must also be
revoked. Certain situations in which Drugs or Salts are merged to correct or
improve chemical structure information may also require a Product Concept to be
revoked. When a Product Concept is revoked a snapshot is stored of its data,
which may include ingredients which are also revoked. This rare event is a
necessary part of ensuring that Product Concepts are meaningful and consistent.
Product concept revocations inherit the accession numbers from the revoked Product Concept.
Product concept revocations are found in the product_concept_revocations table.
Columns
Column
Type
Description
id
int
revoked_at
date
The date the product concept was revoked.
historical_data
text
Text object containing historical data in JSON format for the revocation.
A sequential representation of the metabolic reactions that this drug molecule is involved in. Depending on available information, this may include metabolizing enzymes, reaction type, substrates, products, pharmacological activity of metabolites, and a structural representation of the biochemical reactions.
Reactions are found in the reactions table.
Relationships
Column
Source
drug_id
drugs
Scholarly references are provided for the reactions represented by the reactions table via the reference tables.
Columns
Column
Type
Description
id
integer
drug_id
integer
direction
string
spontaneous
string
balanced_equation
string
sequence
integer
Reactions are displayed within a numerical sequence.
Reactions elements are found in the reaction_elements table.
The element_type and element_id columns combine to identify the
element being referenced in each row. The element_type column indicates whether the element is a Drug or a Metabolite, and the element_id identifies the record in question.
Relationships
Column
Source
element_id
drugs or metabolites, depending on element_type column.
Available salt forms of the drug. Ions such as hydrochloride, sodium, and sulfate are often added to the drug molecule to increase solubility, dissolution, or absorption.
Salts are found in the salts table.
Relationships
Column
Source
drug_id
drugs
Columns
Column
Type
Description
id
integer
drug_id
integer
drugbank_id
string
DrugBank identfiers of the available salt form(s).
name
string
Name of the available salt form(s).
cas
string
Chemical Abstracts Service (CAS) registry number assigned to the salt form(s) of the drug.
moldb_smiles
string
The simplified molecular-input line-entry system (SMILES) is a line notation used for describing the structure of chemical species using short ASCII strings; calculated by ChemAxon.
moldb_formula
string
moldb_inchi
string
A prediction of the IUPAC International Chemical Identifier (InChI); imported by ChemAxon.
Salt properties that have been predicted by ChemAxon or ALOGPS based on the inputed chemical structure.
Salt calculated properties are found in the salt_calculated_properties table.
Relationships
Column
Source
salt_id
salts
Columns
Column
Type
Description
salt_id
int
iupac_name
string
The predicted International Union of Pure and Applied Chemistry (IUPAC) nomenclature for the structure; predicted by ChemAxon.
iupac_traditional_name
string
The non-systematic (or common) name for the molecule, which is not recognized by any formal nomenclature system; imported from ChemAxon.
smiles
string
The simplified molecular-input line-entry system (SMILES) is a line notation used for describing the structure of chemical species using short ASCII strings; calculated by ChemAxon.
logp
string
The predicted partition coefficient (LogP) based on the ratio of solubility of the molecule in 1-octanol compared to water; predicted by ALOGPS.
average_mass
string
Average molecular mass: the weighted average of the isotopic masses of the salt.
mono_mass
string
The mass of the most abundant isotope of the salt.
formula
string
Indicates the simple numbers of each type of atom within the molecule; calculated by ChemAxon.
inchi
string
A prediction of the IUPAC International Chemical Identifier (InChI); imported by ChemAxon.
A descriptor, based on the polarized atoms of the molecule, that allows estimation of transport properties and of the passive molecular transport through membranes of the drug; predicted by ChemAxon.
refractivity
string
The predicted molar refractivity of the molecule, which is strongly related to the volume of the molecules and to London dispersive forces that play crucial part in drug-receptor interactions; predicted by ChemAxon.
polarizability
string
The predicted relative tendency of the electron cloud (charge distribution) of the molecule to be distorted by an external electric field; polarizability values predicted by ChemAxon.
rotatable_bond_count
string
The predicted number of rotatable bonds in the molecule; predicted by ChemAxon. Unsaturated bonds, and single bonds connected to hydrogens or terminal atoms, single bonds of amides, sulphonamides and those connecting two hindered aromatic rings (having at least three ortho substituents) are considered non-rotatable.
acceptor_count
string
A calculation of the sum of the hydrogen bond acceptor atoms. An acceptor atom always has a lone electron pair/lone electron pairs that is capable of establishing a H bond. Predicted by ChemAxon.
donor_count
string
A calculation of the sum of the atoms in the molecule which have hydrogen bond donor property. Predicted by ChemAxon.
pka_strongest_acidic
string
The strongest acidic pka value of the molecule; predicted by ChemAxon.
pka_strongest_basic
string
The strongest basic pka value of the molecule; predicted by ChemAxon.
physiological_charge
string
Charge of the molecule at physiological pH; predicted by ChemAxon.
number_of_rings
string
A calculation of the number of rings in the molecule; predicted by ChemAxon.
bioavailability
string
Fraction of administered dose that is predicted to reach the systemic circulation; predicted by ChemAxon.
rule_of_five
string
A reflection of the absorption or permeation of a molecule; considered “yes” when the molecular weight is under 500 g/mol, the value of logP is lower than 5, and the molecule has utmost 5 H-donor and 10 H-acceptor atoms; predicted by ChemAxon.
ghose_filter
string
A filter that defines drug-likeness constraints as follows: calculated log P is between -0.4 and 5.6, molecular weight is between 160 and 480, molar refractivity is between 40 and 130, and the total number of atoms is between 20 and 70. Imported from ChemAxon.
veber_rule
string
Indicates compliance of drug-like characteristics and its bioavailability based mainly on number of rotatable bonds and polar surface; calculated by ChemAxon.
mddr_like_rule
string
Indicates compliance of drug-like characteristics based on number of rings, rigid bonds and rotatable bonds; calculated by ChemAxon.
alogps_logp
string
The predicted partition coefficient (LogP) based on the ratio of solubility of the molecule in 1-octanol compared to water; predicted by ALOGPS.
alogps_logs
string
The predicted solubility (LogS) of the molecule; predicted by ALOGPS.
alogps_solubility
string
The predicted aqueous solubility of the molecule, provided in mg/mL; predicted by ALOGPS.
Targets / Enzymes / Carriers / Transporters
Protein targets of drug action, enzymes that are inhibited/induced or involved in metabolism, and carrier or transporter proteins involved in movement of the drug across biological membranes.
P23219,Prostaglandin G/H synthase 1,PGH1_HUMAN,PTGS1,154,68685.82,7.39,Prostaglandin-endoperoxide synthase activity,"Converts arachidonate to prostaglandin H2 (PGH2), a committed step in prostanoid synthesis. Involved in the constitutive production of prostanoids in particular in the stomach and platelets. In gastric epithelial cells, it is a key step in the generation of prostaglandins, such as prostaglandin E2 (PGE2), which plays an important role in cytoprotection. In platelets, it is involved in the generation of thromboxane A2 (TXA2), which promotes platelet activation and aggregation, vasoconstriction and proliferation of vascular smooth muscle cells.",1-23,"","",M31822,387018,,9q32-q33.3,PTGS1,HGNC:9604,,,,,,Microsome membrane,">lcl|BSEQ0036935|Prostaglandin G/H synthase 1 MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEALVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQELVGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICSPEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL",">lcl|BSEQ0021254|Prostaglandin G/H synthase 1 (PTGS1) ATGAGCCGGAGTCTCTTGCTCTGGTTCTTGCTGTTCCTGCTCCTGCTCCCGCCGCTCCCCGTCCTGCTCGCGGACCCAGGGGCGCCCACGCCAGTGAATCCCTGTTGTTACTATCCATGCCAGCACCAGGGCATCTGTGTCCGCTTCGGCCTTGACCGCTACCAGTGTGACTGCACCCGCACGGGCTATTCCGGCCCCAACTGCACCATCCCTGGCCTGTGGACCTGGCTCCGGAATTCACTGCGGCCCAGCCCCTCTTTCACCCACTTCCTGCTCACTCACGGGCGCTGGTTCTGGGAGTTTGTCAATGCCACCTTCATCCGAGAGATGCTCATGCGCCTGGTACTCACAGTGCGCTCCAACCTTATCCCCAGTCCCCCCACCTACAACTCAGCACATGACTACATCAGCTGGGAGTCTTTCTCCAACGTGAGCTATTACACTCGTATTCTGCCCTCTGTGCCTAAAGATTGCCCCACACCCATGGGAACCAAAGGGAAGAAGCAGTTGCCAGATGCCCAGCTCCTGGCCCGCCGCTTCCTGCTCAGGAGGAAGTTCATACCTGACCCCCAAGGCACCAACCTCATGTTTGCCTTCTTTGCACAACACTTCACCCACCAGTTCTTCAAAACTTCTGGCAAGATGGGTCCTGGCTTCACCAAGGCCTTGGGCCATGGGGTAGACCTCGGCCACATTTATGGAGACAATCTGGAGCGTCAGTATCAACTGCGGCTCTTTAAGGATGGGAAACTCAAGTACCAGGTGCTGGATGGAGAAATGTACCCGCCCTCGGTAGAAGAGGCGCCTGTGTTGATGCACTACCCCCGAGGCATCCCGCCCCAGAGCCAGATGGCTGTGGGCCAGGAGGTGTTTGGGCTGCTTCCTGGGCTCATGCTGTATGCCACGCTCTGGCTACGTGAGCACAACCGTGTGTGTGACCTGCTGAAGGCTGAGCACCCCACCTGGGGCGATGAGCAGCTTTTCCAGACGACCCGCCTCATCCTCATAGGGGAGACCATCAAGATTGTCATCGAGGAGTACGTGCAGCAGCTGAGTGGCTATTTCCTGCAGCTGAAATTTGACCCAGAGCTGCTGTTCGGTGTCCAGTTCCAATACCGCAACCGCATTGCCATGGAGTTCAACCATCTCTACCACTGGCACCCCCTCATGCCTGACTCCTTCAAGGTGGGCTCCCAGGAGTACAGCTACGAGCAGTTCTTGTTCAACACCTCCATGTTGGTGGACTATGGGGTTGAGGCCCTGGTGGATGCCTTCTCTCGCCAGATTGCTGGCCGGATCGGTGGGGGCAGGAACATGGACCACCACATCCTGCATGTGGCTGTGGATGTCATCAGGGAGTCTCGGGAGATGCGGCTGCAGCCCTTCAATGAGTACCGCAAGAGGTTTGGCATGAAACCCTACACCTCCTTCCAGGAGCTCGTAGGAGAGAAGGAGATGGCAGCAGAGTTGGAGGAATTGTATGGAGACATTGATGCGTTGGAGTTCTACCCTGGACTGCTTCTTGAAAAGTGCCATCCAAACTCTATCTTTGGGGAGAGTATGATAGAGATTGGGGCTCCCTTTTCCCTCAAGGGTCTCCTAGGGAATCCCATCTGTTCTCCGGAGTACTGGAAGCCGAGCACATTTGGCGGCGAGGTGGGCTTTAACATTGTCAAGACGGCCACACTGAAGAAGCTGGTCTGCCTCAACACCAAGACCTGTCCCTACGTTTCCTTCCGTGTGCCGGATGCCAGTCAGGATGATGGGCCTGCTGTGGAGCGACCATCCACAGAGCTCTGA"
uniprot_id
name
uniprot_name
gene_name
organism_id
molecular_weight
theoretical_pi
general_function
specific_function
signal_regions
transmembrane_regions
pdb_ids
genbank_gene_id
genbank_protein_id
genecard_id
locus
genatlas_id
hgnc_id
meta_cyc_id
ncbi_sequence_ids
tissue_specificity
cofactor
subunit
cellular_location
amino_acid_sequence
gene_sequence
P23219
Prostaglandin G/H synthase 1
PGH1_HUMAN
PTGS1
154
68685.82
7.39
Prostaglandin-endoperoxide synthase activity
Converts arachidonate to prostaglandin H2 (PGH2), a committed step in prostanoid synthesis. Involved in the constitutive production of prostanoids in particular in the stomach and platelets. In gastric epithelial cells, it is a key step in the generation of prostaglandins, such as prostaglandin E2 (PGE2), which plays an important role in cytoprotection. In platelets, it is involved in the generation of thromboxane A2 (TXA2), which promotes platelet activation and aggregation, vasoconstriction and proliferation of vascular smooth muscle cells.
Information on the expression of a gene at the mRNA or protein level in cells or in tissues of multicellular organisms; associated with the UniProt identifier.
NCT00000865,The Safety and Effects of 1592U89 Used Alone or in Combination With Other Anti-HIV Drugs in HIV-Infected Infants and Children,A Phase I Safety and Pharmacokinetic Study of 1592U89 Alone and In Combination With Other Antiretroviral Agents in Infants and Children With HIV Infection,completed,treatment,1,,,,01-Apr-1998,actual NCT00000924,A Study to Compare Two Different Anti-HIV Drug Regimens,"A Phase II Randomized, Multicenter Protocol Evaluating Two Antiretroviral Regimens Containing Combinations of Protease Inhibitors, NRTIs, and an NNRTI",completed,treatment,1,,,,01-Jun-2001,actual NCT00000913,A Study to Compare Two Anti-HIV Combination Therapies Each Containing Saquinavir in HIV-Positive Children,A Randomized Trial of Two Saquinavir-Containing Combination Treatment Regimens in Children With HIV Infection,completed,treatment,1,,,,01-Apr-2001,actual NCT00002141,A Phase I Trial to Evaluate the Safety and Pharmacokinetics of 1592U89,A Phase I Trial to Evaluate the Safety and Pharmacokinetics of 1592U89,completed,treatment,1,,,01-Jul-1994,,
identifier
title
official_title
status
purpose
expanded_access
why_stopped
why_stopped_category_id
start_date
end_date
end_date_kind
NCT00000865
The Safety and Effects of 1592U89 Used Alone or in Combination With Other Anti-HIV Drugs in HIV-Infected Infants and Children
A Phase I Safety and Pharmacokinetic Study of 1592U89 Alone and In Combination With Other Antiretroviral Agents in Infants and Children With HIV Infection
completed
treatment
1
01-Apr-1998
actual
NCT00000924
A Study to Compare Two Different Anti-HIV Drug Regimens
A Phase II Randomized, Multicenter Protocol Evaluating Two Antiretroviral Regimens Containing Combinations of Protease Inhibitors, NRTIs, and an NNRTI
completed
treatment
1
01-Jun-2001
actual
NCT00000913
A Study to Compare Two Anti-HIV Combination Therapies Each Containing Saquinavir in HIV-Positive Children
A Randomized Trial of Two Saquinavir-Containing Combination Treatment Regimens in Children With HIV Infection
completed
treatment
1
01-Apr-2001
actual
NCT00002141
A Phase I Trial to Evaluate the Safety and Pharmacokinetics of 1592U89
A Phase I Trial to Evaluate the Safety and Pharmacokinetics of 1592U89
completed
treatment
1
01-Jul-1994
Clinical trial information is found in the clinical_trials table.
Columns
Column
Type
Description
identifier
string
clinicaltrials.gov identifier.
title
string
Clinical Trial title, usually similar to the official title but less detailed.
official_title
string
Official clinicaltrials.gov title.
status
string
Denotes the stage/progress of the trial.
purpose
string
Denotes the goal of the trial,eg: treatment.
expanded_access
boolean
why_stopped
string
why_stopped_category_id
int
The ID of the Why Stopped category in the associated clinical-trial-why-stopped-categories table with the clinical trial’s reason for termination.
1,Business Decision,"The trial has been terminated due to strategic decisions, administrative reasons, sponsor, or company decision.",0 6,Change in Medical/Clinical Practices,The drug(s) of interest might not be suitable to the disease that they were trying to treat due to changes in medical or clinical practices.,0 11,Competing Studies,The study drug(s) are having worse/futile results in similar competing trials.,0
id
category
definition
safety_efficacy_concern
1
Business Decision
The trial has been terminated due to strategic decisions, administrative reasons, sponsor, or company decision.
0
6
Change in Medical/Clinical Practices
The drug(s) of interest might not be suitable to the disease that they were trying to treat due to changes in medical or clinical practices.
0
11
Competing Studies
The study drug(s) are having worse/futile results in similar competing trials.
0
Clinical Trial Why Stopped Categories table stores categories for reasons why a clinical trial was stopped.
Columns
Column
Type
Description
id
int
Unique identifier for the category.
category
string
Name of the category.
definition
text
Definition of the category.
safety_efficacy_concern
boolean
Flag indicating if the category is related to safety or efficacy concern.
The clinical_trial_bio_entity_mentions table contains all the bio-entities that were mentioned in a specific clinical trial. Bio-entities in DrugBank describe biological entities that may relate to drugs. Bioentities can be proteins (peptides/polypeptides), protein groups, small molecules, nucleotides, or groupings.
The clinical_trial_bio_entity_mention_strings table contains the strings that were used to map the bio-entities to clinical trials in the clinical_trial_bio_entity_mentionstable.
Relationships
Column
Source
mention_id
clinical_trial_bio_entity_mentions
Columns
Column
Type
Description
id
integer
Unique identifier for the bio-entity mention string.
mention_id
integer
Identifier for the associated bio-entity mention.
string
string
String containing the text that was mapped to a bio-entity.
section
string
Section of the Clinical Trial data where the string was found.
id,trial_id,kind,label,description 935e1722-3249-4184-88dd-99f04b65a10f,NCT00003857,active_comparator,Observation +/- tamoxifen for 5 years,Observation +/- tamoxifen 20 mg per day for 5 years 03afd4e3-9155-475f-bdc8-7521c2186af7,NCT00003857,experimental,Radiation therapy +/- tamoxifen for 5 years,Radiation therapy to the whole breast +/- tamoxifen 20 mg per day for 5 years 1998a1b8-8908-4ea6-94fa-a7220584fd81,NCT00002529,experimental,AC followed by toremifene,AC for 4 cycles followed by toremifene to 5 years from randomization. 9c6bba36-ea30-4906-b024-4871d0547c44,NCT00002529,experimental,Toremifene alone,Toremifene alone for 5 years.
id
trial_id
kind
label
description
935e1722-3249-4184-88dd-99f04b65a10f
NCT00003857
active_comparator
Observation +/- tamoxifen for 5 years
Observation +/- tamoxifen 20 mg per day for 5 years
03afd4e3-9155-475f-bdc8-7521c2186af7
NCT00003857
experimental
Radiation therapy +/- tamoxifen for 5 years
Radiation therapy to the whole breast +/- tamoxifen 20 mg per day for 5 years
1998a1b8-8908-4ea6-94fa-a7220584fd81
NCT00002529
experimental
AC followed by toremifene
AC for 4 cycles followed by toremifene to 5 years from randomization.
9c6bba36-ea30-4906-b024-4871d0547c44
NCT00002529
experimental
Toremifene alone
Toremifene alone for 5 years.
Clinical trial arm groups are found in the clinical_trial_arm_groups table.
Relationships
Column
Source
trial_id
clinical_trials
Columns
Column
Type
Description
id
string
Row identifier.
trial_id
string
kind
string
Kind denotes what role this group has in the study design, for instance, a group can be the control, the experimental group, or the active comparator group.
label
string
A short name that identifies the arm group.
description
text
Description of the group or the interventions applied to the participants in this arm group.
Clinical trial conditions are found in the clinical_trial_conditions table.
The condition_id column always refers to the preferred version of a condition.
bc0453f5-12b2-47c2-ab6e-bb9cad9ae27f,NCT00000726,"",All,0,"",13 Years,65 Years,No,"Exclusion Criteria\n\n Concurrent Medication:\n\n Excluded:\n\n - Acyclovir.\n\n - Zidovudine (AZT).\n\n - Any potentially nephrotoxic agent, especially aminoglycosides, pentamidine, or\n amphotericin B.\n\n Prior Medication:\n\n Excluded:\n\n - Ganciclovir.\n\n - Foscarnet.\n\n - Excluded within 7 days of study entry:\n\n - Any potentially nephrotoxic agent.\n\n - Excluded within 14 days of study entry:\n\n - Cytomegalovirus hyperimmune globulin in therapeutic doses.\n\n - Immunomodulators.\n\n - Biologic response modifiers.\n\n - Investigational agents.\n\n - Amphotericin B maintenance for a systemic mycosis.\n\n Known allergy to foscarnet.\n\n Active AIDS-defining opportunistic infection other than cytomegalovirus (CMV) including\n systemic mycosis, pulmonary or neurologic impairment (comatose).\n\n Patient must be diagnosed as having:\n\n - AIDS CDC Group IV.C.\n\n - Cytomegalovirus (CMV) retinitis as identified by its characteristic ophthalmoscopic\n appearance and verified by fundus photography.\n\n - One pending culture for CMV from blood and urine prior to study entry.","" f7a8a544-ad9b-4044-805d-bc89c53bee56,NCT00001302,"",All,0,"","","",No,"Biopsy proven metastatic cancer, for whom no better therapy exists. All patients are\n eligible. Enrollment of patients with kidney, breast, ovarian cancers, and lymphomas is\n encouraged.\n\n A life expectancy of at least 16 weeks, and a performance status (Karnofsky scale) of 70%\n or greater. Patients without rapidly growing disease.\n\n Any prior therapy except for previous bone marrow transplantation.\n\n WBC greater than 3,000/mm3 and ACG greater than 1,000/mm3; platelets greater than\n 100,000/mm3.\n\n Creatinine Clearance greater than 50 ml/min; bilirubin less than 1.5 mg/dl; SGOT less than\n 70u/L; SGPT less than 80u/L.\n\n A signed informed consent and geographic accessibility for the patient to return for follow\n up and treatment.\n\n No history of brain metastases.\n\n Not currently receiving treatment with the following agents or any other agent known to\n significantly interact with cyclosporine, and treatment cannot be discontinued, or changed\n to another therapeutically equivalent allowable drug: acetazolamide, barbiturates,\n corticosteroids, diltiazem, erythromycin, fluconazole, ketoconazole, nicardipine,\n phenothiazines, phenytoin, rifampin, sulfonamides, trimethoprim, verapamil, tamoxifen,\n progesterone, quinine, quinidine, or amiodarone.\n\n No symptomatic peripheral neuropathy (grade 2 or greater arising from prior vinca alkaloid\n therapy).\n\n No positive serology for HIV.\n\n No ongoing pregnancy or unwillingness to practice adequate contraception.","" b4b09381-78e4-47be-be5d-65e4e71cc560,NCT00000179,"",All,0,"",50 Years,"",No,Inclusion Criteria:\n\n - Memory problem consistent with a probable diagnosis of Alzheimer's disease (AD)\n\n - Agitation symptoms for at least the past 2 weeks\n\n - Patient has caregiver who can participate\n\n - Patient lives in the same household as the caregiver,""
id
trial_id
sampling_method
gender
gender_based
gender_description
min_age
max_age
healthy_volunteers
criteria
population
bc0453f5-12b2-47c2-ab6e-bb9cad9ae27f
NCT00000726
All
0
13 Years
65 Years
No
Exclusion Criteria\n\n Concurrent Medication:\n\n Excluded:\n\n - Acyclovir.\n\n - Zidovudine (AZT).\n\n - Any potentially nephrotoxic agent, especially aminoglycosides, pentamidine, or\n amphotericin B.\n\n Prior Medication:\n\n Excluded:\n\n - Ganciclovir.\n\n - Foscarnet.\n\n - Excluded within 7 days of study entry:\n\n - Any potentially nephrotoxic agent.\n\n - Excluded within 14 days of study entry:\n\n - Cytomegalovirus hyperimmune globulin in therapeutic doses.\n\n - Immunomodulators.\n\n - Biologic response modifiers.\n\n - Investigational agents.\n\n - Amphotericin B maintenance for a systemic mycosis.\n\n Known allergy to foscarnet.\n\n Active AIDS-defining opportunistic infection other than cytomegalovirus (CMV) including\n systemic mycosis, pulmonary or neurologic impairment (comatose).\n\n Patient must be diagnosed as having:\n\n - AIDS CDC Group IV.C.\n\n - Cytomegalovirus (CMV) retinitis as identified by its characteristic ophthalmoscopic\n appearance and verified by fundus photography.\n\n - One pending culture for CMV from blood and urine prior to study entry.
f7a8a544-ad9b-4044-805d-bc89c53bee56
NCT00001302
All
0
No
Biopsy proven metastatic cancer, for whom no better therapy exists. All patients are\n eligible. Enrollment of patients with kidney, breast, ovarian cancers, and lymphomas is\n encouraged.\n\n A life expectancy of at least 16 weeks, and a performance status (Karnofsky scale) of 70%\n or greater. Patients without rapidly growing disease.\n\n Any prior therapy except for previous bone marrow transplantation.\n\n WBC greater than 3,000/mm3 and ACG greater than 1,000/mm3; platelets greater than\n 100,000/mm3.\n\n Creatinine Clearance greater than 50 ml/min; bilirubin less than 1.5 mg/dl; SGOT less than\n 70u/L; SGPT less than 80u/L.\n\n A signed informed consent and geographic accessibility for the patient to return for follow\n up and treatment.\n\n No history of brain metastases.\n\n Not currently receiving treatment with the following agents or any other agent known to\n significantly interact with cyclosporine, and treatment cannot be discontinued, or changed\n to another therapeutically equivalent allowable drug: acetazolamide, barbiturates,\n corticosteroids, diltiazem, erythromycin, fluconazole, ketoconazole, nicardipine,\n phenothiazines, phenytoin, rifampin, sulfonamides, trimethoprim, verapamil, tamoxifen,\n progesterone, quinine, quinidine, or amiodarone.\n\n No symptomatic peripheral neuropathy (grade 2 or greater arising from prior vinca alkaloid\n therapy).\n\n No positive serology for HIV.\n\n No ongoing pregnancy or unwillingness to practice adequate contraception.
b4b09381-78e4-47be-be5d-65e4e71cc560
NCT00000179
All
0
50 Years
No
Inclusion Criteria:\n\n - Memory problem consistent with a probable diagnosis of Alzheimer's disease (AD)\n\n - Agitation symptoms for at least the past 2 weeks\n\n - Patient has caregiver who can participate\n\n - Patient lives in the same household as the caregiver
Eligibility criteria represent the key requirements that people who want to participate in a clinical study must meet or the characteristics they must have. Eligibility criteria consist of both inclusion criteria (which are required for a person to participate in the study) and exclusion criteria (which prevent a person from participating). Types of eligibility criteria include whether a study accepts healthy volunteers, has age or age group requirements, or is limited by sex.
Relationships
Column
Source
trial_id
clinical_trials
Columns
Column
Type
Description
id
string
A unique identifier assigned to this eligibility
trial_id
string
sampling_method
string
The method used for the sampling approach. Either Probability Sample or Non-Probability Sample.
gender
string
The sex and, if applicable, gender of the participants eligible to participate in the clinical study.
gender_based
boolean
Whether participant eligibility is based on gender. “Gender” means a person’s self-representation of gender identity.
gender_description
string
Descriptive information about gender criteria, if eligibility is gender-based.
min_age
string
The numerical value, if any, for the minimum age a potential participant must meet to be eligible for the clinical study.
max_age
string
The numerical value, if any, for the maximum age a potential participant can be to be eligible for the clinical study.
healthy_volunteers
string
A type of eligibility criteria that indicates whether people who do not have the condition/disease being studied can participate in that clinical study.
criteria
text
Free text inclusion and exclusion criteria
population
text
A description of the population from which the groups or cohorts will be selected (for example, primary care clinic, community sample, residents of a certain town).
id,trial_id,title,agency_class,lead_sponsor 0,NCT00000913,National Institute of Allergy and Infectious Diseases (NIAID),nih,1 1,NCT00002141,Burroughs Wellcome,industry,1 2,NCT00000924,Eunice Kennedy Shriver National Institute of Child Health and Human Development (NICHD),nih,0 3,NCT00000924,National Institute of Allergy and Infectious Diseases (NIAID),nih,1
id
trial_id
title
agency_class
lead_sponsor
0
NCT00000913
National Institute of Allergy and Infectious Diseases (NIAID)
nih
1
1
NCT00002141
Burroughs Wellcome
industry
1
2
NCT00000924
Eunice Kennedy Shriver National Institute of Child Health and Human Development (NICHD)
nih
0
3
NCT00000924
National Institute of Allergy and Infectious Diseases (NIAID)
nih
1
Clinical trial sponsors are found in the clinical_trial_sponsors table.
Clinical trial browse interventions are found in the clinical_trial_browse_interventions table.
Each row in this table describes a potential drug intervention that was studied in this trial. These interventions are extracted algorithmically from clinical trial descriptions by clinicaltrials.gov. Each browse intervention is potentially matched to a DrugBank drug, indicated by the presence of a drug_id value.
Clinical trial browse conditions are found in the clinical_trial_browse_conditions table.
Each row in this table describes a potential condition that was studied in this trial. These conditions are extracted algorithmically from clinical trial descriptions by clinicaltrials.gov. Each browse condition is potentially matched to a DrugBank condition, indicated by the presence of a condition_id value.
When present, the condition_id column always refers to the preferred version of a condition.
Orphan Designations table stores information about orphan designations for rare diseases.
Orphan designations are a special status given by health regulatory bodies for experimental treatments, which may include one or more drugs, intended for a single rare disease. The orphan_designations table offers a view of these designations without being specifically tied to any one set of regulatory standards or rules.
Orphan FDA Designations table stores information about FDA designations for orphan designations.
Each entry in the orphan_fda_designations table can be linked to a single corresponding row in the orphan_designations table. However, not all entries in the orphan_fda_designations have a matching row in the orphan_designations table due to ambiguous source data or manual curation delays.
Relationships
Column
Source
orphan_designation_id
orphan_designations
Columns
Column
Type
Description
cf_grid_key
int
Unique identifier for the FDA designation.
orphan_designation_id
int
Identifier for the associated orphan designation.
generic_name
text
Generic name associated with the FDA designation.
orphan_designation
text
Text description of the FDA designation.
designation_date
date
Date of the FDA designation.
designation_status
string
Status of the FDA designation.
marketing_approval_date
date
Date of marketing approval for the FDA designation.
exclusivity_end_date
date
End date of exclusivity for the FDA designation.
approved_labeled_indication
text
Text description of the approved labeled indication for the FDA designation.
exclusivity_protected_indication
text
Text description of the exclusivity protected indication for the FDA designation.
188,103733,"An exanthem is a skin rash - sometimes referred to as a morbilliform rash - and occurs due to a variety of infections, health conditions, or after taking certain medications. It typically begins on the chest or abdomen and spreads rapidly to other parts of the body.","Exanthema is a general term used to describe widespread skin eruptions caused by a variety of conditions, including infection, malignancy, drug hypersensitivity, or other conditions. Exanthemata are commonly associated with systemic symptoms, including fever, malaise, and headache. Loss of appetite, irritability, and abdominal pain are additional symptoms that occur along with the rash.[L14438] In the context of drug hypersensitivity, exanthemata often present as flat and raised (maculopapular) rashes appearing within days to weeks of exposure to a specific drug. The lesions initially appear on the trunk and rapidly progresse outwards toward the limbs in a symmetrical fashion. A low-grade fever is often present; mucous membranes are typically spared.[A189309,A214622] Pruritus and subcutaneous swelling and/or edema may also be apparent.[A214622,A214625] Histologically, the infiltration of activated lymphocytes and eosinophils in the papillary dermis and dermal-epidermal junction near the vasculature may be observed. Necrotic or abnormal keratinocytes can be seen in early exanthematous lesions.[T803, A214625]\n\nA morbilliform rash is a subtype of a maculopapular rash, although the two terms are often used interchangeably. It is commonly associated with antibiotic therapy and may occur in isolation, or in combination with other symptoms that may denote a more serious allergic condition.[L14477] The histology for morbilliform rash is nonspecific and unlikely to confirm a diagnosis. Clinical correlation is advised if a histologic examination is performed.[A214625] The morbilliform rash commonly presents as flat and raised lesions initially appearing on the trunk with subsequent progression to the limbs. It is predominantly a T-cell mediated delayed-type hypersensitivity reaction that occurs within days to weeks after exposure to the offending drug.[A214655,A214658,L14477]\n","Discontinuing the offending agent normally leads to the rapid resolution of exthameta, if caused by drug-hypersensitivity. The use of emollients and topical steroid creams may be beneficial.[A214625,L14477] Supportive care measures and symptomatic treatment are the cornerstones of management and should be tailored to each individual’s clinical presentation. When choosing an alternative agent, consider cross-sensitivity and avoid agents that are structurally related if possible.[A201914,A204257]" 275,12307,"An infusion-related reaction is a type of allergic reaction that occurs when drugs are administered through an intravenous (IV) injection. It is characterized by anaphylaxis, skin rash, fever, chills, facial swelling, and difficulty breathing, along with other symptoms involving multiple organs. Symptoms of infusion-related reactions usually begin shortly after an intravenous infusion is started.","Infusion-related reactions are a type I hypersensitivity reaction with a wide range of severity and clinical presentations. Multiorgan involvement may occur during an infusion-related reaction. Clinical presentations can include a skin rash, anaphylaxis, fever, chills, dyspnea, hypotension, respiratory arrest, tachycardia, and rarely, death. Variable cutaneous (urticaria, pruritus, angioedema), gastrointestinal (nausea, vomiting, diarrhea, abdominal cramping), and renal (hematuria) symptoms may be observed.[A221565] Infusion-related reactions most commonly occur after the administration of anticancer drugs, such as monoclonal antibodies, administered by intravenous infusion. Infusion-related reactions can either be immunological (IgE-mediated, allergic, or anaphylactic) or non-immunological (anaphylactoid or pseudo-allergic), however, differentiation is challenging as the clinical manifestations of these conditions can be very similar. True type I allergic infusion-related reactions occur within minutes of exposure, although delayed reactions occurring 10-12 hours after drug exposure are also possible.[A221560] A pseudo-allergic infusion reaction resembles a true type I hypersensitivity reaction, can arise from direct cytokine release caused by the drug (also known as a cytokine-release syndrome), and is typically observed in the hours immediately following infusion of the culprit drug.[A221555] Such reactions are common with monoclonal antibodies and T-cell-directed immunotherapies, especially during the initial drug exposure.[A221565]","If an infusion-related allergic reaction is severe, interruption of the drug infusion is recommended.[A221555] Supportive care measures and symptomatic treatment are the cornerstones of management and should be tailored to each individual’s clinical presentation.[A201914, A204257]" 168,131308,"A cutaneous manifestation is a skin condition or rash that can occur due to infections, medical conditions, or a drug allergy. It is sometimes accompanied by a fever, feeling generally unwell, a headache, or other symptoms.","Cutaneous manifestations of drug allergy normally result in a rash with or without systemic symptoms such as fever, headache, or malaise. The skin eruption can have various clinical presentations and can change or progress over time. Examples include but are not limited to maculopapular rash, morbilliform rash, fixed drug eruption, and more serious conditions such as Stevens Johnson Syndrome (SJS) and toxic epidermal necrolysis (TEN).","If a drug-induced allergy is suspected or confirmed, the causative agent should be discontinued immediately. Supportive care measures and symptomatic treatment are the cornerstones of management and should be tailored to each individual’s clinical presentation. When choosing an alternative agent, consider cross-sensitivity and avoid agents that are structurally related, if possible.[A201914, A204257]"
id
condition_id
simple_description
clinical_description
management
188
103733
An exanthem is a skin rash - sometimes referred to as a morbilliform rash - and occurs due to a variety of infections, health conditions, or after taking certain medications. It typically begins on the chest or abdomen and spreads rapidly to other parts of the body.
Exanthema is a general term used to describe widespread skin eruptions caused by a variety of conditions, including infection, malignancy, drug hypersensitivity, or other conditions. Exanthemata are commonly associated with systemic symptoms, including fever, malaise, and headache. Loss of appetite, irritability, and abdominal pain are additional symptoms that occur along with the rash.[L14438] In the context of drug hypersensitivity, exanthemata often present as flat and raised (maculopapular) rashes appearing within days to weeks of exposure to a specific drug. The lesions initially appear on the trunk and rapidly progresse outwards toward the limbs in a symmetrical fashion. A low-grade fever is often present; mucous membranes are typically spared.[A189309,A214622] Pruritus and subcutaneous swelling and/or edema may also be apparent.[A214622,A214625] Histologically, the infiltration of activated lymphocytes and eosinophils in the papillary dermis and dermal-epidermal junction near the vasculature may be observed. Necrotic or abnormal keratinocytes can be seen in early exanthematous lesions.[T803, A214625]\n\nA morbilliform rash is a subtype of a maculopapular rash, although the two terms are often used interchangeably. It is commonly associated with antibiotic therapy and may occur in isolation, or in combination with other symptoms that may denote a more serious allergic condition.[L14477] The histology for morbilliform rash is nonspecific and unlikely to confirm a diagnosis. Clinical correlation is advised if a histologic examination is performed.[A214625] The morbilliform rash commonly presents as flat and raised lesions initially appearing on the trunk with subsequent progression to the limbs. It is predominantly a T-cell mediated delayed-type hypersensitivity reaction that occurs within days to weeks after exposure to the offending drug.[A214655,A214658,L14477]\n
Discontinuing the offending agent normally leads to the rapid resolution of exthameta, if caused by drug-hypersensitivity. The use of emollients and topical steroid creams may be beneficial.[A214625,L14477] Supportive care measures and symptomatic treatment are the cornerstones of management and should be tailored to each individual’s clinical presentation. When choosing an alternative agent, consider cross-sensitivity and avoid agents that are structurally related if possible.[A201914,A204257]
275
12307
An infusion-related reaction is a type of allergic reaction that occurs when drugs are administered through an intravenous (IV) injection. It is characterized by anaphylaxis, skin rash, fever, chills, facial swelling, and difficulty breathing, along with other symptoms involving multiple organs. Symptoms of infusion-related reactions usually begin shortly after an intravenous infusion is started.
Infusion-related reactions are a type I hypersensitivity reaction with a wide range of severity and clinical presentations. Multiorgan involvement may occur during an infusion-related reaction. Clinical presentations can include a skin rash, anaphylaxis, fever, chills, dyspnea, hypotension, respiratory arrest, tachycardia, and rarely, death. Variable cutaneous (urticaria, pruritus, angioedema), gastrointestinal (nausea, vomiting, diarrhea, abdominal cramping), and renal (hematuria) symptoms may be observed.[A221565] Infusion-related reactions most commonly occur after the administration of anticancer drugs, such as monoclonal antibodies, administered by intravenous infusion. Infusion-related reactions can either be immunological (IgE-mediated, allergic, or anaphylactic) or non-immunological (anaphylactoid or pseudo-allergic), however, differentiation is challenging as the clinical manifestations of these conditions can be very similar. True type I allergic infusion-related reactions occur within minutes of exposure, although delayed reactions occurring 10-12 hours after drug exposure are also possible.[A221560] A pseudo-allergic infusion reaction resembles a true type I hypersensitivity reaction, can arise from direct cytokine release caused by the drug (also known as a cytokine-release syndrome), and is typically observed in the hours immediately following infusion of the culprit drug.[A221555] Such reactions are common with monoclonal antibodies and T-cell-directed immunotherapies, especially during the initial drug exposure.[A221565]
If an infusion-related allergic reaction is severe, interruption of the drug infusion is recommended.[A221555] Supportive care measures and symptomatic treatment are the cornerstones of management and should be tailored to each individual’s clinical presentation.[A201914, A204257]
168
131308
A cutaneous manifestation is a skin condition or rash that can occur due to infections, medical conditions, or a drug allergy. It is sometimes accompanied by a fever, feeling generally unwell, a headache, or other symptoms.
Cutaneous manifestations of drug allergy normally result in a rash with or without systemic symptoms such as fever, headache, or malaise. The skin eruption can have various clinical presentations and can change or progress over time. Examples include but are not limited to maculopapular rash, morbilliform rash, fixed drug eruption, and more serious conditions such as Stevens Johnson Syndrome (SJS) and toxic epidermal necrolysis (TEN).
If a drug-induced allergy is suspected or confirmed, the causative agent should be discontinued immediately. Supportive care measures and symptomatic treatment are the cornerstones of management and should be tailored to each individual’s clinical presentation. When choosing an alternative agent, consider cross-sensitivity and avoid agents that are structurally related, if possible.[A201914, A204257]
A presentation includes available information for a specific set of symptoms relating to an allergic reaction.
Relationships
Column
Source
condition_id
conditions
Columns
Column
Type
Description
id
int
Row ID
condition_id
int
Row ID of the related condition for this presentation
simple_description
text
Concise overview of the condition in plain language suitable for non-clinical users.
clinical_description
text
Concise overview of the condition in technical language suitable for healthcare professionals.
management
text
Guidance on how to potentially manage this drug allergy presentation.
188,hypersensitivity_type,Type IV 275,hypersensitivity_type,Type I 168,hypersensitivity_type,Unclassified
presentation_id
relationship
value
188
hypersensitivity_type
Type IV
275
hypersensitivity_type
Type I
168
hypersensitivity_type
Unclassified
Allergy presentations have a number of optional, string array-valued attributes which cannot be represented in a single column. These are represented in the allergy_presentation_attributes table. Each row represents one value element of the array in a given attribute.
Relationships
Column
Source
presentation_id
allergy_presentations
Columns
Column
Type
Description
presentation_id
int
Row ID of the allergy presentation
relationship
string
Currently only hypersensitivity_type relationships exist.
value
string
For hypersensitivity_type relationships, a level of allergic reactions to this condition, such as Type I (onset is within an hour), Type II (onset is within a few hours to a few days); health professionals are usually familiar with these terms.
Hypersensitivity Types
Possible values for hypersensitivity_types include one or more of the following:
Type
Description
Type I
onset within 1 hour. Examples include anaphylaxis, urticaria, angioedema, bronchospasm, etc.
Type II
onset between a few hours to a few days. Examples include anemia, cytopenia, thrombocytopenia, etc.
Type III
onset between 1-3 weeks. Examples include serum sickness, vasculitis, fever, rash, arthralgia, etc.
Type IV
onset of several days to several weeks. Examples include contact sensitivity, skin rashes, organ-tissue damage, etc.
Unclassified
We do not yet have a well-understood mechanism to fit into one of the above types.
1033,"Based on clinical studies' findings, the incidence of infusion-related reactions to golimumab ranged from 4-20%. Most reactions were not severe in nature. In clinical studies, 3-10% of patients experienced a skin rash.[A216143]",Golimumab,drug-specific 1010,"Hypersensitivity reactions to cetuximab include anaphylaxis and angioedema, as well as a generalized rash, loss of consciousness, hypotension, and cardiorespiratory arrest in more severe cases.[A216143, A221805] Other documented reactions include toxic epidermal necrolysis (TEN), acneiform exanthems, and folliculitis.[A216268] Severe hypersensitivity reactions can occur in 1 to 5% of patients.[A216143] IgE antibodies against cetuximab found in patients who were hypersensitive to the drug were shown to be specific for an oligosaccharide, galactose-α-1,3-galactose, which is present on the Fab portion of the cetuximab heavy chain. Natural exposure to galactose-α-1,3-galactose and production of IgE antibodies against this sugar structure found in non-primate mammalian proteins is possible through tick bites and red meat allergy. Patients with previous tick bites and red meat allergies have a risk of cross-sensitivity to cetuximab.[A221805] Like other monoclonal antibodies administered via intravenous infusion, cetuximab is associated with infusion-related reactions. Studies report that the rate of infusion-related reactions (grade 1 to 4) can range from 12 to 27%.[A221795,A221800]",Cetuximab,drug-specific 1374,"Systemic allergic reactions to etanercept, an anti-tumour necrosis factor-ɑ (TNF-ɑ) antagonist, appear uncommon.[A223364] Local injection site reactions such as erythema, pruritus, and edema are most commonly reported.[A223364, A223679] In one study, 13 patients treated with etanercept experienced hypersensitivity reactions, including two cases of anaphylaxis, five cases of urticaria/angioedema, four cases of local reactions, and two reactions classified as eosinophilia, pruritus, or morbilliform reactions.[A223364,A223679] In a large prospective case-control study in Europe, etanercept was associated with a risk of erythema multiforme.[A204278]\n\nTwo case reports describe anaphylactoid reactions secondary to etanercept administration.[A223364]",Etanercept,drug-specific
id
info
source_name
source_type
1033
Based on clinical studies' findings, the incidence of infusion-related reactions to golimumab ranged from 4-20%. Most reactions were not severe in nature. In clinical studies, 3-10% of patients experienced a skin rash.[A216143]
Golimumab
drug-specific
1010
Hypersensitivity reactions to cetuximab include anaphylaxis and angioedema, as well as a generalized rash, loss of consciousness, hypotension, and cardiorespiratory arrest in more severe cases.[A216143, A221805] Other documented reactions include toxic epidermal necrolysis (TEN), acneiform exanthems, and folliculitis.[A216268] Severe hypersensitivity reactions can occur in 1 to 5% of patients.[A216143] IgE antibodies against cetuximab found in patients who were hypersensitive to the drug were shown to be specific for an oligosaccharide, galactose-α-1,3-galactose, which is present on the Fab portion of the cetuximab heavy chain. Natural exposure to galactose-α-1,3-galactose and production of IgE antibodies against this sugar structure found in non-primate mammalian proteins is possible through tick bites and red meat allergy. Patients with previous tick bites and red meat allergies have a risk of cross-sensitivity to cetuximab.[A221805] Like other monoclonal antibodies administered via intravenous infusion, cetuximab is associated with infusion-related reactions. Studies report that the rate of infusion-related reactions (grade 1 to 4) can range from 12 to 27%.[A221795,A221800]
Cetuximab
drug-specific
1374
Systemic allergic reactions to etanercept, an anti-tumour necrosis factor-ɑ (TNF-ɑ) antagonist, appear uncommon.[A223364] Local injection site reactions such as erythema, pruritus, and edema are most commonly reported.[A223364, A223679] In one study, 13 patients treated with etanercept experienced hypersensitivity reactions, including two cases of anaphylaxis, five cases of urticaria/angioedema, four cases of local reactions, and two reactions classified as eosinophilia, pruritus, or morbilliform reactions.[A223364,A223679] In a large prospective case-control study in Europe, etanercept was associated with a risk of erythema multiforme.[A204278]\n\nTwo case reports describe anaphylactoid reactions secondary to etanercept administration.[A223364]
Etanercept
drug-specific
An allergy detail includes available information regarding hypersensitivity (allergic) reactions patients may experience following the administration of a drug. Allergy details may be specific to a drug or may be retrieved for a drug from an allergy category.
Columns
Column
Type
Description
id
int
Row ID
info
text
A high level description of the allergy.
source_name
string
Information on where the allergy detail came from including name and type of source.
Allergy details have a number of optional, string array-valued attributes which cannot be represented in a single column. These are represented in the allergy_detail_attributes table. Each row represents one value element of the array in a given attribute.
Relationships
Column
Source
detail_id
allergy_details
Columns
Column
Type
Description
detail_id
int
Row ID of an allergy detail
relationship
string
Currently only evidence_type relationships exist.
value
string
For evidence_type relationships, a type of evidence (such as review or case reports) used to gather the allergy information for this drug. See possible values below.
Evidence Types
Possible values for evidence_type include:
Type
Description
clinical_trial
data is from a controlled clinical trial
post_marketing
data comes from post-approval drug surveillance
uncontrolled_trial
open study without a comparator/placebo
nonclinial_trial
cohort study, retrospective medical records review, or case control
case_reports
specific data from one or more cases
varying_reports
anything that does not easily fit into another category
literature
data comes from various sources within the literature
unclassified
data comes from a source other than one of those listed
review
general literature review, may cover data from any of the other types
931,Theoretical,"There is limited clinical information on cross-sensitivity amongst monoclonal antibodies (mABs), although several factors are mentioned in the literature that may result in a cross-sensitivity reaction. Drug-related risk factors for hypersensitivity reactions include the degree of humanization, the glycosylation pattern, the cell line of origin from which it was obtained, the dosing interval, and excipients with allergenic potential.[A36676] Cross-sensitivity may occur from two mABs if they share a common structural feature, such as specific glycosylation patterns of the Fc portion of the molecule, that causes a hypersensitivity reaction.[A216098] \n\nThe drug’s cell line of origin can contribute to specific structural differences or glycosylation patterns because different cell lines produce cell-derived enzymes that give rise to varying glycosylation patterns.[A36676] If the hypersensitivity reaction against a given mAB involves the recognition of a structural feature, such as specific glycosylation of the Fc portion of the mAB, then cross-sensitivity may occur with other mABs if they share that structural feature.[A216098] mABs that are derived from the SP2/O murine cell line have a distinct glycosylation pattern due to the presence of galactose-α1,3-galactose (α-gal), which is an enzyme found in nonhuman sources, such as ticks. As hypersensitivity to α-gal has been demonstrated in the literature, cross-sensitivity among drugs derived from this cell line may be theoretically possible. During clinical trials, patients who developed hypersensitivity reactions to cetuximab had pre-existing IgE antibodies against α-gal.[A216098, A216298] It is not known whether the target specificity of mABs is of significance in determining cross-sensitivity: it is unclear whether two mABs binding to the same antigen leads to similar hypersensitivity reactions to a cross-sensitivity reaction.[A216098]\n"
id
incidence
description
931
Theoretical
There is limited clinical information on cross-sensitivity amongst monoclonal antibodies (mABs), although several factors are mentioned in the literature that may result in a cross-sensitivity reaction. Drug-related risk factors for hypersensitivity reactions include the degree of humanization, the glycosylation pattern, the cell line of origin from which it was obtained, the dosing interval, and excipients with allergenic potential.[A36676] Cross-sensitivity may occur from two mABs if they share a common structural feature, such as specific glycosylation patterns of the Fc portion of the molecule, that causes a hypersensitivity reaction.[A216098] \n\nThe drug’s cell line of origin can contribute to specific structural differences or glycosylation patterns because different cell lines produce cell-derived enzymes that give rise to varying glycosylation patterns.[A36676] If the hypersensitivity reaction against a given mAB involves the recognition of a structural feature, such as specific glycosylation of the Fc portion of the mAB, then cross-sensitivity may occur with other mABs if they share that structural feature.[A216098] mABs that are derived from the SP2/O murine cell line have a distinct glycosylation pattern due to the presence of galactose-α1,3-galactose (α-gal), which is an enzyme found in nonhuman sources, such as ticks. As hypersensitivity to α-gal has been demonstrated in the literature, cross-sensitivity among drugs derived from this cell line may be theoretically possible. During clinical trials, patients who developed hypersensitivity reactions to cetuximab had pre-existing IgE antibodies against α-gal.[A216098, A216298] It is not known whether the target specificity of mABs is of significance in determining cross-sensitivity: it is unclear whether two mABs binding to the same antigen leads to similar hypersensitivity reactions to a cross-sensitivity reaction.[A216098]\n
The term cross-sensitivity refers to an increased likelihood of a patient experiencing an allergic reaction to a given drug or drug allergy category based on a pre-existing allergy to a separate drug or category. Each cross-sensitivity entry provides information on known associations between drugs/categories that result in an increased risk of allergic reactions.
Columns
Column
Type
Description
id
int
Row ID
incidence
text
Text describing the incidence of the cross-sensitivity. Note that this is not a structured field at this point. Some values may be percentages. Others may be just a general description or indication that it’s a theoretical cross-sensitivity only.
description
text
More details on the cross-sensitivity such as supporting evidence, underlying mechanisms, risks, and management guidelines, if known.
Cross-sensitivities have a number of optional, string array-valued attributes which cannot be represented in a single column. These are represented in the cross_sensitivity_attributes table. Each row represents one value element of the array in a given attribute.
Relationships
Column
Source
cross_sensitivity_id
cross_sensitivities
Columns
Column
Type
Description
cross_sensitivity_id
int
Row ID of a cross-sensitivity
relationship
string
Currently only evidence_type relationships exist.
value
string
For evidence_type relationships, a type of evidence (such as review or case reports) used to gather the allergy information for this drug. See possible values below.
Evidence Types
Possible values for evidence_type include:
Type
Description
clinical_trial
data is from a controlled clinical trial
post_marketing
data comes from post-approval drug surveillance
uncontrolled_trial
open study without a comparator/placebo
nonclinial_trial
cohort study, retrospective medical records review, or case control
case_reports
specific data from one or more cases
varying_reports
anything that does not easily fit into another category
literature
data comes from various sources within the literature
unclassified
data comes from a source other than one of those listed
review
general literature review, may cover data from any of the other types
6675,931,2,"As a Monoclonal Antibodies From The Murine (Sp2/0) Cell Line, Golimumab is known to be cross-sensitive with Monoclonal Antibodies From The Murine (Sp2/0) Cell Line" 2,931,6675,"As a Monoclonal Antibodies From The Murine (Sp2/0) Cell Line, Cetuximab is known to be cross-sensitive with Monoclonal Antibodies From The Murine (Sp2/0) Cell Line"
drug_id
cross_sensitivity_id
cross_sensitive_drug_id
summary
6675
931
2
As a Monoclonal Antibodies From The Murine (Sp2/0) Cell Line, Golimumab is known to be cross-sensitive with Monoclonal Antibodies From The Murine (Sp2/0) Cell Line
2
931
6675
As a Monoclonal Antibodies From The Murine (Sp2/0) Cell Line, Cetuximab is known to be cross-sensitive with Monoclonal Antibodies From The Murine (Sp2/0) Cell Line
Drugs considered cross-sensitive.
Relationships
Column
Source
drug_id
drugs
cross_sensitivity_id
cross_sensitivities
cross_sensitive_drug_id
drugs
Columns
Column
Type
Description
drug_id
int
Row ID of a drug
cross_sensitivity_id
int
Row ID of a cross-sensitivity
cross_sensitive_drug_id
int
Row ID of a drug that’s cross sensitive with the drug_id drug
summary
text
An overview of the cross-sensitivity information for the drug. It will contain whether or not this is a category-based cross-sensitivity.
References
References and citations are available to the following types of documents:
articles
attachments
external_links
textbooks
Each document type has two tables: the cited table (eg. cited_articles) and the citations table (eg. article_citations). Each row in the cited table represents a document, while each row in the ciations table represents a reference to that document.
The citations tables are all polymorphic, with their relationship to the citing object determined by the referencer_id and referencer_type columns. The following relationships are represented in this way:
4,A4,10480573,"Hosokawa N, Yamamoto S, Uehara Y, Hori M, Tsuchiya KS: Effect of thiazinotrienomycin B, an ansamycin antibiotic, on the function of epidermal growth factor receptor in human stomach tumor cells. J Antibiot (Tokyo). 1999 May;52(5):485-90.",,"Effect of thiazinotrienomycin B, an ansamycin antibiotic, on the function of epidermal growth factor receptor in human stomach tumor cells.","Hosokawa N, Yamamoto S, Uehara Y, Hori M, Tsuchiya KS",J Antibiot (Tokyo),52,1999,1999 May,485-490,5 5,A5,10601294,"Wakita H, Takigawa M: Activation of epidermal growth factor receptor promotes late terminal differentiation of cell-matrix interaction-disrupted keratinocytes. J Biol Chem. 1999 Dec 24;274(52):37285-91.",,Activation of epidermal growth factor receptor promotes late terminal differentiation of cell-matrix interaction-disrupted keratinocytes.,"Wakita H, Takigawa M",J Biol Chem,274,1999,1999 Dec 24,37285-37291,52
id
ref_id
pubmed_id
citation
doi
title
authors
journal
volume
year
date
pages
issue
4
A4
10480573
Hosokawa N, Yamamoto S, Uehara Y, Hori M, Tsuchiya KS: Effect of thiazinotrienomycin B, an ansamycin antibiotic, on the function of epidermal growth factor receptor in human stomach tumor cells. J Antibiot (Tokyo). 1999 May;52(5):485-90.
Effect of thiazinotrienomycin B, an ansamycin antibiotic, on the function of epidermal growth factor receptor in human stomach tumor cells.
Hosokawa N, Yamamoto S, Uehara Y, Hori M, Tsuchiya KS
J Antibiot (Tokyo)
52
1999
1999 May
485-490
5
5
A5
10601294
Wakita H, Takigawa M: Activation of epidermal growth factor receptor promotes late terminal differentiation of cell-matrix interaction-disrupted keratinocytes. J Biol Chem. 1999 Dec 24;274(52):37285-91.
Activation of epidermal growth factor receptor promotes late terminal differentiation of cell-matrix interaction-disrupted keratinocytes.
Wakita H, Takigawa M
J Biol Chem
274
1999
1999 Dec 24
37285-37291
52
A list of articles that were used as references for this item.
Cited article details are found in the cited_articles table.
Columns
Column
Type
Description
id
int
primary key
ref_id
string
Identifier for the article being referenced. This is unique across all reference types.
1132,F1132,Verapamil FDA label,//s3-us-west-2.amazonaws.com/drugbank-stage/cite_this/attachments/files/000/001/132/original/Verapamil_FDA_label.pdf?1534363654 1133,F1133,Australian prescriber: P-glycoprotein and its role in drug-drug interactions,//s3-us-west-2.amazonaws.com/drugbank-stage/cite_this/attachments/files/000/001/133/original/Australian_prescriber.pdf?1534364121
238,T238,,XPharm: The comprehensive Pharmacology Reference,Scholar E.,,Elsevier,2007,, 338,T338,978-1-84973-828-6,New horizons in predictive drug metabolism and pharmacokinetics,Wilson A.,,The Royal Society of Chemistry,2016,,
id
ref_id
isbn
title
authors
edition
publisher
year
book_format
ean
238
T238
XPharm: The comprehensive Pharmacology Reference
Scholar E.
Elsevier
2007
338
T338
978-1-84973-828-6
New horizons in predictive drug metabolism and pharmacokinetics
Wilson A.
The Royal Society of Chemistry
2016
A list of textbooks that were used as references for this item.
Cited textbook details are found in the cited_textbooks table.
Columns
Column
Type
Description
id
int
primary key
ref_id
string
Identifier for the textbook being referenced. This is unique across all reference types.
