NAV
json

Introduction

Please note that the example data provided alongside this document does not describe a single drug. Because some drugs may not include any information in some parts of the JSON, the examples you see are a composite from multiple drugs.

For up-to-date and complete drug information in this format, please visit http://omx.io/#contact-form-feature.

Drugs

General Information

{
"drugbank_id": "DB00244",
"alternate_drugbank_ids": [
  "APRD01098"
  ],
"name": "Mesalazine",
"description": "An anti-inflammatory agent, structurally related to the salicylates, which is active in inflammatory bowel disease. It is considered to be the active moiety of sulphasalazine. (From Martindale, The Extra Pharmacopoeia, 30th ed)",
"updated_at": "2018-09-25",
"created_at": "2005-06-13",
"biotech_categories": null,
"cas_number": "89-57-6",
"unii": "4Q81I59GXC",
"groups": [
  "approved"
  ],
"drug_type": "small_molecule",
"synthesis_references": "Thomas M. Parkinson, Joseph P. Brown, Robert E. Wingard, Jr., \"Pharmaceutical preparations containing a polymeric agent for releasing 5-aminosalicylic acid or its salts into the gastrointestinal tract.\" U.S. Patent US4298595, issued January, 1975.",
"synonyms": [
  "3-carboxy-4-hydroxyaniline",
  "5-ASA",
  "5-aminosalicylic acid",
  "Asacol",
  "Asacolitin",
  "Canasa",
  "Claversal",
  "Fisalamine",
  "Iialda",
  "Lixacol",
  "Mesalamine",
  "Mesalazina",
  "Mesalazine",
  "Mesalazinum",
  "Mesasal",
  "P-Aminosalicylsaeure",
  "Pentasa",
  "Rowasa",
  "Salofalk",
  "m-Aminosalicylic acid"
  ],
"organisms": [
  "Humans and other mammals"
  ],
"ahfs_codes": [
  "56:36.00"
  ],
"food_interactions": [
  "Take without regard to meals."
  ]
}
Property Type Description
drugbank_id string Other identifiers that may be associated with the drug.
alternate_drugbank_ids string array Alternate identifiers used for this drug in DrugBank.
name string
created_at date Date that this drug was first added to DrugBank.
updated_at date Denotes when this drug was last updated in DrugBank
drug_type string Either small_molecule, or biotech. Biotech is used for any drug that is derived from living systems or organisms, usually composed of high molecular weight mixtures of protein, while small_molecule describes a low molecular weight organic compound.
unii string Unique Ingredient Identifier (UNII) of this drug.
synonyms string array Other names or identifiers that are associated with this drug.
description text
cas_number string The Chemical Abstracts Service (CAS) registry number assigned to the drug.
groups string array Other groups that this drug belongs to. May include any of: approved, vet_approved, nutraceutical, illicit, withdrawn, investigational, and experimental.
synthesis_references string Citation for synthesis of the drug molecule.
organisms string array Organisms in which the drug may display activity; activity may depend on local susceptibility patterns and resistance.
ahfs_codes string array The American Hospital Formulary Service (AHFS) identifier for this drug.
food_interactions string array Food that may interact with this drug.
general_references object See references

Biotech Categories

{
  "biotech_categories": [
    {
      "name": "Other vaccines",
      "group": "Vaccines"
    }
  ]
}

Categorizations of Biotech drug purpose and source. Each category has a name and a group.

Property Type Description
name string Biotech category name
group string A broader grouping of biotech categories.

Calculated Properties

{
  "calculated_properties": {
    "ALOGPS": {
      "logP": "0.75",
      "logS": "-1.1",
      "Water Solubility": "1.22e+01 g/l"
    },
    "logP": "-0.29",
    "IUPAC Name": "5-amino-2-hydroxybenzoic acid",
    "Traditional IUPAC Name": "mesalazine",
    "Molecular Weight": "153.1354",
    "Monoisotopic Weight": "153.042593095",
    "SMILES": "NC1=CC(C(O)=O)=C(O)C=C1",
    "Molecular Formula": "C7H7NO3",
    "InChI": "InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)",
    "InChIKey": "InChIKey=KBOPZPXVLCULAV-UHFFFAOYSA-N",
    "Polar Surface Area (PSA)": "83.55",
    "Refractivity": "40",
    "Polarizability": "14.26",
    "Rotatable Bond Count": "1",
    "H Bond Acceptor Count": "4",
    "H Bond Donor Count": "3",
    "pKa (strongest acidic)": "2.02",
    "pKa (strongest basic)": "5.87",
    "Physiological Charge": "-1",
    "Number of Rings": "1",
    "Bioavailability": "1",
    "Rule of Five": "1",
    "Ghose Filter": "0",
    "MDDR-Like Rule": "0",
    "Veber's Rule": "0"
  }
}

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.

Property Type Description
ALOGPS object Properties calculated by ALOGPS software
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.
IUPAC Name string The predicted International Union of Pure and Applied Chemistry (IUPAC) nomenclature for the structure; predicted by ChemAxon.
Traditional IUPAC Name string The non-systematic (or common) name for the molecule, which is not recognized by any formal nomenclature system; imported from ChemAxon.
Molecular Weight 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.
Monoisotopic Weight string The predicted mass of the most abundant isotope of the drug; calculated by 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.
Molecular 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 (PSA) 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.
H Bond 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.
H Bond 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.
MDDR-Like Rule string
Veber’s Rule string

The ‘ALOGPS’ object includes the following properties:

Property Type Description
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.
logS string The predicted solubility (LogS) of the molecule; predicted by ALOGPS.
Water Solubility string The predicted aqueous solubility of the molecule, provided in mg/mL; predicted by ALOGPS.

Experimental Properties

{
"experimental_properties": {
  "Water Solubility": "0.84 g/L at 20°C",
  "Melting Point": "283 °C",
  "Boiling Point": "1740 °C",
  "Radioactivity": "33",
  "logP": "1.2",
  "logS": "-0.2",
  "caco2 Permeability": "-6.05",
}
}

Drug properties that have been experimentally proven.

Property Note Description
Water Solubility The experimentally determined aqueous solubility of the molecule.
Molecular Formula Biotech only Protein formula of Biotech drugs.
Molecular Weight Biotech only Protein weight of Biotech drugs.
Melting Point The experimentally determined temperature at which the drug molecule changes from solid to liquid at atmospheric temperature.
Boiling Point The experimentally determined temperature at which the drug molecule changes from liquid to gas at atmospheric temperature.
Hydrophobicity Biotech only The ability of a molecule to repel water rather than absorb or dissolve water.
Isoelectric Point Biotech only The pH value at which the net electric charge of a molecule is zero.
caco2 Permeability Small Molecule only 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 Small Molecule only The experimentally determined pka value of the molecule.
logP Small Molecule only The experimentally determined partition coefficient (LogP) based on the ratio of solubility of the molecule in 1-octanol compared to water.
logS Small Molecule only 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.
Radioactivity Small Molecule only 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.

Pharmacology

{
  "pharmacology": {
    "indication": "Gadobenate Dimeglumine is an MRI contrast agent used primarily for MR imaging of the liver. It can also be used for MRI of the heart, as well as and central nervous system in adults to visualize lesions with abnormal brain vascularity or abnormalities in the blood brain barrier, the brain, spine, or other associated tissues.",
    "pharmacodynamics": "Gadobenate dimeglumine shares the pharmacokinetic properties of the ECF contrast agent gadopentetate dimeglumine; however, gadobenate differs in that is also selectively taken-up by hepatocytes and excreted via the bile (up to 5% of dose). The elimination half-life of gadobenate dimeglumine is approximately 1 hour. It is not metabolized.",
    "mechanism_of_action": "Based on the behavior of protons when placed in a strong magnetic field, which is interpreted and transformed into images by magnetic resonance (MR) instruments. Paramagnetic agents have unpaired electrons that generate a magnetic field about 700 times larger than the proton's field, thus disturbing the proton's local magnetic field. When the local magnetic field around a proton is disturbed, its relaxation process is altered. MR images are based on proton density and proton relaxation dynamics. MR instruments can record 2 different relaxation processes, the T1 (spin-lattice or longitudinal relaxation time) and the T2 (spin-spin or transverse relaxation time). In magnetic resonance imaging (MRI), visualization of normal and pathological brain tissue depends in part on variations in the radiofrequency signal intensity that occur with changes in proton density, alteration of the T1, and variation in the T2. When placed in a magnetic field, Gadobenate Dimeglumine shortens both the T1 and the T2 relaxation times in tissues where it accumulates. At clinical doses, Gadobenate Dimeglumine primarily affects the T1 relaxation time, thus producing an increase in signal intensity. Gadobenate Dimeglumine does not cross the intact blood-brain barrier; therefore, it does not accumulate in normal brain tissue or in central nervous system (CNS) lesions that have not caused an abnormal blood-brain barrier (e.g., cysts, mature post-operative scars).",
    "absorption": "",
    "toxicity": "Gadolinium-based radiocontrast agents like gadobenate dimeglumine are cytotoxic to renal cells. The toxic effects include apoptosis, cellular energy failure, disruption of calcium homeostasis, and disturbance of tubular cell polarity, and are thought to be linked to oxidative stress.",
    "protein_binding": "Plasma protein binding is low, weak, and transient.",
    "metabolism": "Not metabolized.",
    "half_life": "1 hour",
    "route_of_elimination": "Gadobenate ion is eliminated predominately via the kidneys, with 78% to 96% of an administered dose recovered in the urine.",
    "volume_of_distribution": "",
    "clearance": "* 0.093 +/- 0.010 L/hr/kg [healthy male subjects receiving 3 single-dose IV administration with doses from 0.005-0.4 mmol/kg]",
    "structured_indications": [ ]
    }
}

Describes the use, mechanism of action, pharmacokinetics, pharmacodynamics, and physiological or biochemical effects in the body.

Property Type Description
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.
structured_indications object array See below

Structured Indications

{
  "structured_indications": [
    {
      "off_label": false,
      "otc_use": false,
      "military_use": false,
      "kind": "used_in_combination_as_diagnostic_agent",
      "condition": {
        "title": "occlusive vascular disease",
        "meddra_id": null,
        "icd10_id": null,
        "snomed_id": null,
      },
      "process": {
        "title": "magnetic resonance angiography",
        "meddra_id": "llt/10057784",
        "icd10_id": null,
        "snomed_id": null,
      },
      "min_age": {
        "amount": 10,
        "unit": "day"
      },
      "max_age": {
        "amount": 20,
        "unit": "year"
      },
      "with_therapies": [{
        "title": "Prostate external beam radiation therapy",
        "meddra_id": "llt/10036924",
        "icd10_id": null
        "snomed_id": null,
      }],
      "combination_drugs": [
        {
          "name": "Flutamide",
          "drugbank_id": "DB00499",
          "combination_type": "mixture"
        }
      ],
      "combination_drug_categories": [
        {
        "title": "Corticosteroids",
        "drugbank_id": "DBCAT000428",
        "mesh_id": "D000305"
        }
      ],
      "combination_type": "mixture"
    }
  ]
}

Note that the above indication includes extra data for the purpose of illustrating the related data structures.

Describes the approved conditions, diseases, or states for which a drug can safely and effectively be used. DrugBank drug indications have been structured based on their designation through the Food and Drug Administration (FDA) in the United States.

Property Type Description
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 boolean Conditions that can be treated with products available over the counter (does not require a prescription).
kind string Denotes the kind of use this indication describes.
timeline string Specifies the timeline (ex. short-term), if necessary.
route string Route of administration of the drug(s) in the indication.
dose_form string Dose form in which the indication applies.
dose_strength string Dose strength in which the indication applies.
regions string array A list of regions to which this indication applies.
sex_group string Sex group of patients to which the indication applies. Possible values are null, “male”, “female”, or “all”.
min_age object This indication applies only to patients this age or older.
max_age object This indication applies only to patients this age or younger.
age_groups string array List of age groups to which this indication applies.
excluded_age_groups string array List of age groups to which this indication does not apply.
genetic_factors Genetic Factor array Genetic factors related to this indication.
genetic_factors.includes Genetic Factor array Genetic factors in patients for which this indication is applicable.
genetic_factors.excludes Genetic Factor array Genetic factors which exclude patients from this indication.
combination_drugs simplified Drug array Denotes drugs administered in combination for this indication.
adjunct_drugs simplified Drug array Denotes drugs administered as adjuncts for this indication.
combination_drug_categories simplified Category array Denotes drug categories administered in combination for this indication.
adjunct_drug_categories simplified Category array Denotes drug categories administered as adjuncts for this indication.
combination_type string Describes how the indication combines drugs.

Some indication properties contain lists of simple objects, described in the table below:

Property Array? Item Properties
combination_drugs array drugbank_id, name
adjunct_drugs array drugbank_id, name
combination_drug_categories array drugbank_id, title, mesh_id
adjunct_drug_categories array drugbank_id, title, mesh_id
min_age object amount (integer), unit (string, one of “day”, “week”, “month”, “year”)
max_age object amount (integer), unit (string, one of “day”, “week”, “month”, “year”)

Within indications, it is commonly required to describe a medical condition. These are described below, in the condition objects section. The following indication properties take this form:

Property Type Description
condition Condition The condition which that this drug has been approved to treat.
induction_of Condition A condition which is induced by the drug.
process Condition Denotes a diagnosic process in diagnost indications.
therapy Condition Used when the drug is indicated for use as a therapy rather than in the treatment or management of a condition or disease.
mechanism Condition Denotes the mechanism through which this drug achieves/contributes to the desired change.
condition_associated_with Condition array Other descriptors or conditions that are associated with the main indication.
equivalent_concept Condition A condition equivalent to the indication. Some indications can be directly mapped to MedDRA or ICD10 concepts.
with_therapies Condition array Denotes adjunct therapies in adjunct indications.
patient_characteristics Condition array List of one or more patient characteristics. Example: “immunocompromised”.
excluded_patient_characteristic Condition array List of characteristics which exclude patients from this indication.

combination_type

Combination indications include a combination_type field which denotes the type of combination described. This field can take on one of the 3 values listed in the table below.

combination_type Value Description
product Indication refers to a single product with multiple ingredients
mixture Indication refers to many products which use this ingredient along with others. In those combination products, each ingredient may have a distinct purpose. Example: cough/cold products often combine many ingredients, each with a separate purpose.
regimen Indication refers to a drug (potentially in a combination product) which is used with other products as part of a treatment regimen or cocktail.

Some indications apply to a combination product being used as part of a regimen. These indications will have a "combination_type": "regimen" value, which may obscure the fact that some of the drugs in with_drugs are used in a combination product with the indicated drug. For this reason, each drug in the with_drugs array is given its own combination_type field. Generally this matches the combination_type of the enclosing indication, but in the product/regimen scenario, any of the drugs in with_drugs with "combination_type": "product" are part of the combination product including the main drug of this indication.

Genetic Factors

Describes a genetic factor for indications, or conditions.

Property Type Description
gene Condition A condition describing the gene which is most central to this genetic factor.
mutation Condition A condition describing the genetic mutation which is most central to this genetic factor.
positive_finding Condition A condition describing a positive finding of this genetic mutation.
negative_finding Condition A condition describing a negative finding of this genetic mutation.
related_genes Condition array Genes related to this genetic factor.

Condition Objects

{
  "title": "magnetic resonance angiography",
  "drugbank_id": "DBCOND0000008",
  "meddra_id": "llt/10057784",
  "icd10_id": null,
  "snomed_id": null,

  "related_concepts": [{
    "title": "magnetic resonance imaging",
    "drugbank_id": "DBCOND0000007",
    "meddra_id": null,
    "icd10_id": null
  }]
}

Condition objects with title, meddra_id, icd10_id, and snomed_id properties are used in several places in structured indication objects. Often, condition objects denote a medical condition, but they are also used to describe procedures, therapies, and genes.

Condition objects have the following properties

Property Type Description
title string Name/description of the condition
drugbank_id string DrugBank condition identifier
meddra_id string Medical Dictionary for Regulatory Activities (MedDRA) identifier.
icd10_id string International Statistical Classification of Diseases and Related Health Problems 10th Revision(ICD-10) identifier
snomed_id string SNOMED CT identifier.
uniprot_id string Universal Protein Resource (UniProt) identifer; used for describing genes associated with the specific condition.
related_concepts Condition array List of related conditions.
as_drug Drug The DrugBank drug of the same name as this condition, if any exists.
as_drug_category Category The DrugBank drug category of the same name as this condition, if any exists.
modification_of Object See below
combination_of Object See below

combination_of

{
  "title": "Conjunctivitis caused by chlamydia",
  "drugbank_id": "DBCOND0021916",
  "meddra_id": "pt/10010745",
  "icd10_id": "c/A74.0",

  "synonyms": [
    "Conjunctivitis chlamydial",
    "Chlamydial Conjunctivitis",
    "Inclusion blenorrhoea",
    "Inclusion blenorrhea",
    "Conjunctivitis, Inclusion",
    "Paratrachoma",
    "Inclusion conjunctivitis"
  ],
  "combination_of": {
    "additional_characteristics": [],
    "caused_by": [
      {
        "title": "Chlamydial Infections",
        "drugbank_id": "DBCOND0020995",
        "meddra_id": "hlt/10008561",
        "icd10_id": "c/A74.9",
        "uniprot_id": null
      }
    ],
    "included_conditions": [
      {
        "title": "Conjunctivitis",
        "drugbank_id": "DBCOND0009989",
        "meddra_id": "llt/10010741",
        "icd10_id": "c/H10.9",
        "uniprot_id": null
      }
    ],
    "excluded_conditions": []
  }
}

This property describes the outer Condition as a combination of other conditions. Often, this is used to tie a group of conditions to each individual condition which are more likely to have a MedDRA ID, ICD10 ID, etc.

Property Type Description
caused_by Condition array Used to describe when the condition is caued by another, prior disease, condition, or physiological state.
included_conditions Condition array
excluded_conditions Condition array Conditions that can not be treated with this drug.
additional_characteristics Condition array Characteristic of the combination condition.

modification_of

{
  "title": "acute, non-severe allergic rhinitis",
  "modification_of": {
    "base": {
      "title": "allergic rhinitis"
    },
    "severity": {
      "includes": [ "acute" ],
      "excludes": [ "severe" ]
    }
  }
}

This property describes the outer Condition as a modification to another condition. Often, this is used to tie a slightly more specific form of a condition to a more general form, which is more likely to have a MedDRA ID, ICD10 ID, etc. For instance, “acute allergic rhinitis” could be considered to be “allergic rhinitis” with the additional modifier “acute”.

Property Type Description
base Condition The main condition which is being modified.
location_name string Used to describe when drug use is specific to a condition in/on a certain body part.
stage string A more specific form of condition descriptors that are used to designate cancer stages. These provide a description of the extent to which a neoplasm has developed or spread from its site of origin.
status string Condition status descriptors are similar to condition severity descriptors, but are more closely related to the progression of the disease or the disease course. These are often used to describe chronic conditions or infections with alternating periods of active and suppressed symptoms, such as Multiple Sclerosis.
severity object A specific type of condition association that describes the severity of the main condition; may be informed by duration, symptoms, and/or stages of the main condition or disease.
severity.includes string array Condition severity indicators that would include the main condition for use by the drug.
severity.excludes string array Condition severity indicators that would exclude the main condition for use by the drug.

Structured Adverse Effects

{
  "structured_adverse_effects": [
    {
      "evidence_type": [
        "clinical_trial"
      ],
      "regions": [
        "US"
      ],
      "age_groups": [
        "unspecified"
      ],
      "incidences": [
        {
          "kind": "experimental",
          "percent": "<2.0%"
        }
      ],
      "effect": {
        "title": "Sleeplessness",
        "drugbank_id": "DBCOND0048259",
        "meddra_id": "llt/10022437",
        "icd10_id": "c/G47.0",
        "snomed_id": null,
        "synonyms": [
          "INSOMNIA",
          "Insomnia NOS"
        ]
      },
      "with_categories": [
        {
        "title": "Corticosteroids",
        "drugbank_id": "DBCAT000428",
        "mesh_id": "D000305"
        }
      ],
      "patient_characteristics": [
        {
          "title": "Advanced Prostate Cancer",
          "drugbank_id": "DBCOND0043429",
          "meddra_id": null,
          "icd10_id": null,
          "snomed_id": null,
          "modification_of": {
            "stage": "advanced",
            "base": {
              "title": "Prostate Cancer",
              "drugbank_id": "DBCOND0062462",
              "meddra_id": "hlt/10036908",
              "icd10_id": "c/C61",
              "snomed_id": null,
              "uniprot_id": null,
              "synonyms": [
                "Prostatic Cancer",
                "Prostatic neoplasms malignant",
                "Carcinoma Prostate"
              ]
            }
          }
        }
      ]
    }
  ]
}

All adverse effects include an effect property. Each adverse effect can also include one or more of the following properties.

Property Type Description
route string array Route of administration of the drug(s) in the adverse effect.
dose_form string array Dose form in which the adverse effect applies.
dose_strength string array Dose strength in which the adverse effect applies.
regions string array The source region of the adverse effect.
evidence_type string array Source of evidence for this adverse effect. Example: “clinical_trial”.
age_groups string array List of age groups to which this adverse effect applies.
excluded_age_groups string array List of age groups to which this adverse effect does not apply.
event string array Specific event that causes this adverse effect. Example: “discontinuation”.
admin string array Type of administration for which the adverse effect applies. Example: “Multiple dose”.
timeline string array Specifies the timeline (ex. short-term), if necessary.
usage string array Specific usage of which the adverse effect applies. Example: “First-line therapy”.
effect Condition The main adverse effect.
patient_characteristics Condition array List of one or more patient characteristics. Example: “immunocompromised”.
excluded_patient_characteristics Condition array List of characteristics which exclude patients from this adverse effect.
associated_with Condition array Other conditions that are associated with the adverse effect.
with_therapy Condition array A therapy the patient must be undergoing for the adverse effect to apply.
with_drugs Drug array Drugs which contribute to the combination of drugs to which the adverse effect applies.
with_categories Category array Drug categories which contribute to the combination of drugs to which the adverse effect applies.

Adverse Effect Incidences

{
  "incidences": [
    {
      "kind": "experimental",
      "name": "survanta",
      "percent": "6%",
      "p_value": ">0.05%"
    }
  ]
}

Adverse effects also include an array of incidences. Each of these describe the reported statistics for the prevalence of this effect among different groups, such as control, placebo, comparator, or experimental.

Property Type Description
kind string Affected group/arm: control, placebo, comparator or experimental.
name string Optional description of the incidence, e.g. the name of the comparator.
percent string Percentage of incidence.
percent_descriptor string Optional description of the percentage.
p_value string p-value of the evidence, if known.

Structured Contraindications

{
  "structured_contraindications": [
    {
      "route": [
        "oral"
      ],
      "regions": [
        "US"
      ],
      "above_age": {
        "amount": 35,
        "unit": "year"
      },
      "with_categories_coadmin": [
        {
          "title": "Cytochrome P-450 CYP3A Inducers (strong)",
          "drugbank_id": "DBCAT003784",
          "mesh_id": null
        }
      ]
    }
  ]
}

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 contraindication describes one such situation, and may include the following properties:

Property Type Description
route string array Route of administration of the drug(s) in the contraindication.
dose_form string array Dose form in which the contraindication applies.
regions string array The source region of the contraindication.
hypersensitivity string array Hypersensitivity which contraindicates the drug.
lab_values string array Patient measurements which cause contraindication to apply.
recommended_actions string array Recommended actions to mitigate the contraindication, if possible.
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".
age_groups string array Age groups, at least one of which the patient must belong to in order for the contraindication to apply.
excluded_age_groups string array Age groups which the patient must not belong to in order for the contraindication to apply.
above_age age object Minimum age of the patient in which the contraindication applies.
below_age age object Maximum age of the patient in which the contraindication applies.
patient_conditions Condition array A condition the patient must have for the contraindication to apply.
patient_conditions_associated_with Condition array Conditions with which the patient-condition is associated.
with_drugs simplified Drug array Drugs which contribute to the combination of drugs to which the contraindication applies.
with_drugs_coadmin simplified Drug array Drugs which, when co-administered, contribute to the combination of drugs to which the contraindication applies.
with_categories simplified Category array Drug categories which contribute to the combination of drugs to which the contraindication applies.
with_categories_coadmin simplified Category array Drug categories which, when co-administered, contribute to the combination of drugs to which the contraindication applies.

Structured Blackbox Warnings

{
  "structured_blackbox_warnings": [
    {
      "kind": "warning",
      "risk": {
        "title": "Increased susceptibility to infection",
        "drugbank_id": "DBCOND0097792",
        "meddra_id": "pt/10021866",
        "icd10_id": null,
        "synonyms": [
          "Infection susceptibility increased",
          "Infection susceptibility incr",
          "Increased susceptibility to infections NOS",
          "Increased susceptibility to infections"
        ]
      }
    },
    {
      "kind": "warning",
      "risk": {
        "title": "Malignant Lymphomas",
        "drugbank_id": "DBCOND0046362",
        "meddra_id": "llt/10025316",
        "icd10_id": "c/C85.9",
        "synonyms": [
          "Lymphoma",
          "Lymphoma NOS",
          "Malignant Lymphoma",
          "Lymphomas",
          "Lymphoma, Malignant",
          "Malignant lymphoma NOS",
          "Lymphoma malignant"
        ]
      }
    }
  ]
}

Structured data representing warnings from the black box section of drug labels. Contraindications may include specific criteria as to when they apply, as well as potential risks, contraindications, or adverse effects.

Each blackbox warning describes one such warning, and may include the following properties:

Property Type Description
kind string The type of black box warning
management string Directions for the health care practictioner to manage risk/adverse effects.
administration string Describes the administration of the drug in this warning.
recommendation string Short description of the warning, expected action.
timeline string Timeline of drug administration/usage.
risk Condition A serious adverse effect which may occur with the usage of the drug.
required_use Condition The only approved/safe usage of the drug.
misuse Condition Incorrect usage of the drug.
route string array Drug routes for which this warning applies.
dose_form string array Dose forms to which this warning applies.
lab_values string array Relevant lab values for which this warning applies.
sex_group string Sex group of the patient for which the warning applies.
age_groups string array Age groups to which this warning applies.
excluded_age_groups string array Age groups to which this warning does not apply.
above_age age object Minimum age of the patient for which the warning applies
below_age age object Maximum age of the patient for which the warning applies
patient_characteristics Condition array Patient characteristics that cause warning to apply to the patient.
excluded_patient_characteristics Condition array Patient characteristics that exclude the patient from this warning.
with_drugs simplified Drug array Additional drugs which a patient must be using for the warning to apply.
with_drugs_coadmin simplified Drug array Additional drugs which a patient must be coadministered for the warning to apply.
with_categories simplified Category array Additional categories of drugs which a patient must be using for the warning to apply.
with_categories_coadmin simplified Category array Additional categories of drugs which a patient must be coadministered for the warning to apply.

Classification

{
  "classification": {
    "description": "This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.",
    "direct_parent": "Pentacarboxylic acids and derivatives",
    "kingdom": "Organic compounds",
    "superclass_name": "Organic acids and derivatives",
    "class_name": "Carboxylic acids and derivatives",
    "subclass_name": "Pentacarboxylic acids and derivatives",
    "alternative_parents": [
      "Alpha amino acids",
      "Amino acids",
      "Benzylethers",
      ],
    "substituents": [
      "Tertiary aliphatic amine",
      "Tertiary amine"
      ]
    }
}

A description of the hierarchical chemical classification of the drug; imported from ClassyFire.

Property Type Description
description string
direct_parent string
kingdom string
superclass_name string Superclass name
class_name string Class name
subclass_name string Subclass name
alternative_parents string array
substituents string array

Salts

{
  "salts": [
      {
        "drugbank_id": "DBSALT002768",
        "alternate_drugbank_ids": [
          "DB09323"
        ],
        "name": "Benzylpenicillin benzathine hydrate",
        "cas_number": "41372-02-5",
        "unii": null,
        "inchikey": "WIDKTXGNSOORHA-CJHXQPGBSA-N",
        "calculated_properties": {
          "logP": "1.08",
          "Molecular Weight": "981.19",
          "Monoisotopic Weight": "980.402363873",
          "Polar Surface Area (PSA)": "86.71",
          "Refractivity": "84.53",
          "Polarizability": "33.51",
          "Rotatable Bond Count": "15",
          "H Bond Acceptor Count": "4",
          "H Bond Donor Count": "2",
          "pKa (strongest acidic)": "3.53",
          "pKa (strongest basic)": "-2.8",
          "Physiological Charge": "-1",
          "Number of Rings": "8",
          "Bioavailability": "0",
          "Rule of Five": "0",
          "Ghose Filter": "0",
          "Veber's Rule": "0",
          "MDDR-Like Rule": "1",
          "ALOGPS": {
            "logP": "1.92",
            "logS": "-3.07",
            "Water Solubility": "2.85e-01 g/l"
          }
        },
        "external_links": [
          {
            "resource": "PubChem Compound",
            "url": "http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25137901"
          },
          {
            "resource": "PubChem Substance",
            "url": "http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=310265205"
          },
          {
            "resource": "ChemSpider",
            "url": "http://www.chemspider.com/Chemical-Structure.571100.html"
          },
          {
            "resource": "ChEMBL",
            "url": "http://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL3989515"
          },
          {
            "resource": "Wikipedia",
            "url": "http://en.wikipedia.org/wiki/Benzathine_benzylpenicillin"
          }
        ],
        "external_identifiers": [
          {
            "resource": "PubChem Compound",
            "identifier": 25137901
          },
          {
            "resource": "PubChem Substance",
            "identifier": 310265205
          },
          {
            "resource": "ChemSpider",
            "identifier": 571100
          },
          {
            "resource": "Wikipedia",
            "identifier": "Benzathine_benzylpenicillin"
          }
        ]
      }
  ]
}

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.

Property Type Description
drugbank_id string DrugBank identfiers of the available salt form(s).
alternate_drugbank_ids string Alternate identifiers used for this salt in DrugBank.
name string Name of the available salt form(s).
cas_number string Chemical Abstracts Service (CAS) registry number assigned to the salt form(s) of the drug.
unii string Unique Ingredient Identifier (UNII) of the available salt form(s).
inchikey string IUPAC International Chemical Identifier (InChi) key identfier for the available salt form(s).
calculated_properties object Salt properties that have been predicted by ChemAxon or ALOGPS based on the inputed chemical structure.
external_identifiers array Identifiers used in other websites or databases providing information about this salt.
external_links array Links to other websites or databases providing information about this salt.

The following properties take the same form in salts as they do in drugs:

Products

{
  "products": [
    {
      "name": "Declomycin",
      "ndc_product_code": null,
      "dpd_id": "02169924",
      "started_marketing_on": "1996-10-25",
      "ended_marketing_on": "2007-08-13",
      "dosage_form": "tablet",
      "strength": "150 mg",
      "route": "oral",
      "fda_application_number": null,
      "country": "Canada",
      "over_the_counter": false,
      "generic": false,
      "approved": true,
      "source": "DPD"
    }
  ]
}

A list of commercially available products in Canada and the United States that contain the drug.

Property Type Description
name string The proprietary name(s) provided by the manufacturer for any commercially available products containing this drug.
ndc_product_code string The National Drug Code (NDC) product code from the FDA National Drug Code directory.
dpd_id string Drug Product Database (DPD) identification number from the Canadian Drug Product Database. Only present for drugs that are marketed in Canada.
started_marketing_on date string The starting date for market approval.
ended_marketing_on date string The ending date for market approval.
dosage_form string The pharmaceutical formulation by which the drug is introduced into the body.
strength string The amount of active drug ingredient provided in the dosage.
route string The path by which the drug or product is taken into the body.
fda_application_number string The New Drug Application [NDA] number assigned to this drug by the FDA.
country string The country where this commercially available drug has been approved.
over_the_counter boolean A list of Over The Counter (OTC) forms of the drug.
generic boolean
approved boolean Indicates whether this drug has been approved by the regulating government.
source string Source of this product information. For example, a value of DPD indicates this information was retrieved from the Canadian Drug Product Database.

International Brands

{
  "international_brands": [
    {
      "name": "Declostatin",
      "company": ""
      },
    {
      "name": "Ledermycin",
      "company": "Takeda"
      }
    ]
}

Commercially available products containing this drug that are available in countries other than Canada and the United States.

Property Type Description
name string
company string A list of companies that are manufacturing the commercially available forms of this drug that are available in countries other than Canada and the Unites States.

Mixtures

{
  "mixtures": [
    {
      "name":"Childrens Dimetapp Multisymptom Cold and Flu",
      "ingredients": [
        {
          "name":"Acetaminophen",
          "drugbank_id":"DB00316"
          },
        {
          "name":"Phenylephrine",
          "drugbank_id":"DB00388"
          },
        {
          "name":"Dextromethorphan",
          "drugbank_id":"DB00514"
        }
      ]
    }
  ]
}

All commercially available products in which this drug is available in combination with other drug molecules.

Property Type Description
name string The proprietary name(s) provided by the manufacturer for any combination products containing this drug.
ingredients object A list of ingredients, separated by addition symbols.

Availability by region

{
  "availability_by_region": [
    {
      "region": "CA",
      "max_phase": 4,
      "marketed_prescription": true,
      "generic_available": true,
      "pre_market_cancelled": false,
      "post_market_cancelled": false
    },
    {
      "region": "EU",
      "max_phase": 4,
      "marketed_prescription": false,
      "generic_available": false,
      "pre_market_cancelled": true,
      "post_market_cancelled": true
    },
    {
      "region": "US",
      "max_phase": 4,
      "marketed_prescription": true,
      "generic_available": true,
      "pre_market_cancelled": false,
      "post_market_cancelled": false
    }
  ]
}
Property Type Description
region string A country or other jurisdiction
max_phase int Maximum phase achieved during development
marketed_prescription boolean Whether the drug has been marketed for prescription use
generic_available boolean Whether the drug has been available as a generic
pre_market_cancelled boolean Whether the drug was cancelled before market-availability
post_market_cancelled boolean Whether the drug was cancelled after market-availability

Full Synonyms

{
  "full_synonyms": [
      {
        "synonym": "6-Demethyl-7-chlorotetracycline",
        "language": "english"
        },
      {
        "synonym": "7-Chloro-6-demethyltetracycline",
        "language": "english"
        }
    ]
}

Other names or identifiers that are associated with this drug.

Property Type Description
name string
language string Names of the drug in languages other than English.

List of synonyms with language information.

Manufacturers

{
  "manufacturers": [
    {
      "name": "Lederle laboratories div american cyanamid co",
      "generic": false
      },
    {
      "name": "Stiefel laboratories inc",
      "generic": false
      }
    ]
}

A list of companies that are manufacturing the commercially available forms of this drug that are available in Canada and the Unites States.

Property Type Description
name string
generic boolean A list of companies that are manufacturing the generic form of the drug.

Prices

{
  "prices": [
    {
      "description": "Demeclocycline 150 mg tablet",
      "cost": "9.42",
      "currency": "USD",
      "unit": "tablet"
      },
    {
      "description": "Declomycin 150 mg tablet",
      "cost": "12.31",
      "currency": "USD",
      "unit": "tablet"
      }
  ]
}

Unit drug prices.

Property Type Description
description string
cost string Drug price per unit.
currency string Currency of price, example: USD.
unit string

Categories

{
  "categories": [
    {
      "title": "Anti-Bacterial Agents",
      "drugbank_id": "DBCAT000104",
      "alternate_drugbank_ids": [],
      "categorization_kind": "therapeutic",
      "mesh_id": "D000900",
      "term_names": [
        "Agents, Anti-Bacterial",
        "Agents, Anti-Mycobacterial",
        "Agents, Antibacterial",
        "Agents, Antimycobacterial",
        "Agents, Bacteriocidal",
        "Anti Bacterial Agents",
        "Anti Mycobacterial Agents",
        "Anti-Mycobacterial Agents",
        "Antibacterial Agents",
        "Antibiotics",
        "Antimycobacterial Agents",
        "Bacteriocidal Agents",
        "Bacteriocides"
        ]
    },
    {
    "title": "Tetracyclines",
    "drugbank_id": "DBCAT000616",
    "alternate_drugbank_ids": [],
    "categorization_kind": "therapeutic",
    "mesh_id": "D013754",
    "term_names": []
    }
  ]
}

General categorizations of the drug.

Property Type Description
title string
drugbank_id string Primary identifier used for this category in DrugBank.
alternate_drugbank_ids string array Alternate identifiers used for this category in DrugBank.
categorization_kind string Kind of drug categorization
mesh_id string The Medical Subjects Headings (MeSH) identifier for the category.
term_names string MeSH terms associated with this category

Categorization Kinds

Value Description
therapeutic Categorization is based on the therapeutic use of this drug.
pharmacological Categorization is based on pharacological properties of this drug.
indexing Categorization provides organization of this drug.

Dosages

{
  "dosages": [
    {
      "form": "Tablet",
      "route": "oral",
      "strength": "300 mg"
      },
    {
      "form": "Tablet",
      "route": "oral",
      "strength": "150 mg"
      }
  ]
}

A list of the commercially available dosages of the drug.

Property Type Description
form string The pharmaceutical formulation by which the drug is introduced into the body.
route string The path by which the drug or product is taken into the body.
strength string The amount of active drug ingredient provided in the dosage.

ATC Codes

{
  "atc_codes": [
    {
        "code": "D06AA01",
        "levels": [
          {
            "title": "Tetracycline and derivatives",
            "code": "D06AA"
            },
          {
            "title": "ANTIBIOTICS FOR TOPICAL USE",
            "code": "D06A"
            },
          {
            "title": "ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE",
            "code": "D06"
            },
          {
            "title": "DERMATOLOGICALS",
            "code": "D"
            }
        ]
      }
    ]
}

The Anatomical Therapeutic Classification (ATC) code for the drug assigned by the World Health Organization Anatomical Chemical Classification System.

Property Type Description
code string ATC code assigned by the World Health Organization Anatomical Therapeutic Chemical Classification system.
levels object array Array of more general ATC codes which apply to this drug. Includes code and title properties.

Patents

{
  "patents": [
    {
      "number": "5972916",
      "country": "United States",
      "approved": "1997-07-14",
      "expires": "2017-07-14",
      "pediatric_extension": false
      }
  ]
}

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.

Property Type Description
number string The patent number(s) associated with the drug.
country string The country that issued the patent rights.
approved date string The date that the patent request was filed.
expires date string The date that the patent rights expire.
pediatric_extension boolean Indicates whether or not a pediatric extension has been approved for the patent. Granted pediatric extensions provide an additional 6 months of market protection.

Clinical Trials

{
  "clinical_trials": [
    {
      "identifier": "NCT01163084",
      "status": "active_not_recruiting",
      "title": "Leuprolide Acetate or Goserelin Acetate With ...",
      "official_title": "A Randomized Phase Ib/II Study of Preoperative ...",
      "purpose": "treatment",
      "phase": [ 1, 2 ],
      "start_date": "2010-07-01",
      "end_date": "2014-01-01",
      "end_date_kind": "actual",
      "brief_summary": "This randomized phase I/II trial ...",
      "description": "PRIMARY OBJECTIVES: I. To assess ...",
      "countries": ["US"],
      "conditions": [
        {
          "title": "Stage IIB Prostate Cancer",
          "drugbank_id": "DBCOND0011104",
          "meddra_id": null,
          "icd10_id": null
        },
        {
          "title": "Stage IIA Prostate Cancer",
          "drugbank_id": "DBCOND0011103",
          "meddra_id": null,
          "icd10_id": null
        },
        {
          "title": "Prostate Adenocarcinoma",
          "drugbank_id": "DBCOND0014956",
          "meddra_id": "llt/10001186",
          "icd10_id": "c/C61"
        }
      ],
      "interventions": [ ... ],
      "arm_groups": [ ... ]
    }
  ]
}

Clinical Trial data described below is available to subscribers to DrugBank+. See www.drugbankplus.com/data to learn more.

Drug elements include a list of clinical trials in the clinical_trials property.

Properties

Element Type Description
identifier string
title string
official_title string
brief_summary optional string
description optional string
status string
purpose string
start_date date
end_date date
end_date_kind string
phases string
countries string array
condition array of condition objects
results_references reference list
general_references reference list
arm_groups array of arm-group objects
interventions array of intervention objects

Clinical trials include intervention and arm-group data. There can be 0 or more of each. Arm groups are identified by the value of their label property, and are referenced from interventions.

Arm Groups

[
  {
    "label": "Arm II (leuprolide acetate, goserelin acetate)",
    "description": "Patients receive LHRH analogue comprising leuprolide acetate or goserelin acetate as in Arm I. Treatment repeats every 28 days for up to 16 weeks in the absence of disease progression or unacceptable toxicity.",
    "kind": "active_comparator"
  },
  {
    "label": "Arm I (leuprolide acetate, goserelin acetate, vismodegib)",
    "description": "Patients receive LHRH analogue comprising leuprolide acetate IM or goserelin acetate SC on day 1 and vismodegib PO QD on days 1-28. Treatment repeats every 28 days for up to 16 weeks in the absence of disease progression or unacceptable toxicity.",
    "kind": "experimental"
  }
]

Arm Groups contain the following properties:

Property Type Description
label string
description optional string
kind string

kind can include the following values

Interventions

[
  {
    "kind": "drug",
    "title": "Goserelin Acetate",
    "names": [
      "ZDX",
      "Zoladex"
    ],
    "description": "Given SC",
    "arm_group_labels": [
      "Arm II (leuprolide acetate, goserelin acetate)",
      "Arm I (leuprolide acetate, goserelin acetate, vismodegib)"
    ],
    "drugs": [
      {
        "name": "Goserelin",
        "drugbank_id": "DB00014"
      }
    ],
    "products": [
      {
        "name": "Zoladex",
        "ndc_product_code": "0310-0951",
        "dpd_id": null,
        "source": "FDA NDC"
      }
    ]
  }
]

Intervention objects describe an intervention in the trial. Each intervention can be applied to 0 or more arm groups. This relationship is described with the arm_group_labels property, which references trial arm_groups elements by their label.

Property Type Description
title string
description optional string
names string array
drugs drug array
products product array

Drugs

Drugs that match the details of this intervention are included in the drugs array with name and drugbank_id properties.

Products

Products that match the details of this intervention are included in the products arra;y with name, ndc_product_code>, dpd_id, and source properties.

Drug Interactions

{
  "drug_interactions": [
    {
      "drugbank_id": "DB06723",
      "name": "Aluminum hydroxide",
      "description": "Aluminum hydroxide can cause a decrease in the absorption of Demeclocycline resulting in a reduced serum concentration and potentially a decrease in efficacy."
      },
    {
      "drugbank_id": "DB01163",
      "name": "Amdinocillin",
      "description": "The therapeutic efficacy of Amdinocillin can be decreased when used in combination with Demeclocycline."
      }
  ]
}

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.

Property Type Description
drugbank_id string Drugbank ID of the interacting drug.
name string Name of the interacting drug.
description string Textual description of the physiological consequences of the drug interaction.

Structured Drug Interactions

{
  "structured_drug_interactions": [
      {
        "severity": "Moderate",
        "summary": "The therapeutic efficacy of Desmopressin can be decreased when used in combination with Demeclocycline.",
        "action": "decrease_therapeutic_efficacy",
        "subject_drug": {
          "name": "Demeclocycline",
          "drugbank_id": "DB00618"
          },
        "affected_drug": {
          "name": "Desmopressin",
          "drugbank_id": "DB00035"
          }
      }
    ]
}
Property Type Description
severity string The severity of this drug interaction; either minor, moderate, or major.
summary string A short summary of the interaction and its effects.
action string The resulting effect of this interaction on the pharmacological activity of the drug.
subject_drug object The drug which creates the interaction.
affected_drug object The drug which is affected by the interaction.

One of subject_drug or affected_drug will be the drug which embeds these interactions.

Pathways

{
  "pathways": [
    {
      "name": "Demeclocycline Action Pathway",
      "smpdb_id": "drug action",
      "category": "disease"
      "enzymes": [
        {
          "uniprot_id":"P0A7X3"
          }
        ],
      "drugs": [
        {
          "drugbank_id": "DB00117",
          "name": "L-Histidine"
          },
        {
          "drugbank_id": "DB00131",
          "name": "Adenosine monophosphate"
          },
        ]
    }
  ]
}

Metabolic, disease, and biological pathways that the drug is involved in, as identified by the Small Molecule Protein Database (SMPDB).

Property Type Description
name string Pathway name.
smpdb_id string Small Molecule Pathway Database identifier for this pathway.
uniprot_ids string Universal Protein Resource (UniProt) identifiers for proteins involved in this pathway.
drugs object array Drug objects with drugbank_id and name properties.
enzymes object array Enzymes involved in this pathway.

Reactions

{
  "reactions": [
    {
      "sequence": 1,
      "left_element": {
        "name": "Mesalazine",
        "drugbank_id": "DB00244"
      },
      "right_element": {
        "name": "N-acetyl-5-ASA (Ac-5-ASA)",
        "drugbank_id": "DBMET00924"
      },
      "enzymes": [
        {
          "drugbank_id": "BE0002793",
          "name": "Cytochrome P450 2C9",
          "uniprot_id": "P11712"
        },
      ],
      "references": {
        "literature_references": [],
        "textbooks": [],
        "external_links": []
      }
    }
  ]
}

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.

Property Type Description
sequence integer Reactions are displayed within a numerical sequence.
left_element object The substrate of the reaction. May be a drug or a metabolite.
right_element object The product of the reaction. May be a drug or a metabolite.
enzymes object array Enzymes involved in metabolizing this drug.
references references object Academic references supporting and explaining the existence of the reaction.

Metabolites

{
  "metabolites": [
    {
      "drugbank_id": "DBMET00924",
      "alternate_drugbank_ids": [

      ],
      "name": "N-acetyl-5-ASA (Ac-5-ASA)",
      "cas_number": null,
      "unii": "9H126Z3PF5",
      "calculated_properties": {
        "logP": "1.21",
        "IUPAC Name": "5-acetamido-2-hydroxybenzoic acid",
        "Traditional IUPAC Name": "5-acetamido-2-hydroxybenzoic acid",
        "Molecular Weight": "195.1721",
        "Monoisotopic Weight": "195.053157781",
        "Molecular Formula": "C9H9NO4",
        "InChI": "InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)",
        "InChIKey": "GEFDRROBUCULOD-UHFFFAOYSA-N",
        "Polar Surface Area (PSA)": "86.63",
        "Refractivity": "50.16",
        "Polarizability": "18.56",
        "Rotatable Bond Count": "2",
        "H Bond Acceptor Count": "4",
        "H Bond Donor Count": "3",
        "pKa (strongest acidic)": "2.62",
        "pKa (strongest basic)": "-4.4",
        "Physiological Charge": "-1",
        "Number of Rings": "1",
        "Bioavailability": "1",
        "Rule of Five": "1",
        "Ghose Filter": "1",
        "Veber's Rule": "0",
        "MDDR-Like Rule": "0",
        "ALOGPS": {
          "logP": "1.4",
          "logS": "-1.82",
          "Water Solubility": "2.93e+00 g/l"
        }
      },
      "external_links": [
        {
          "resource": "Human Metabolome Database (HMDB)",
          "url": "http://www.hmdb.ca/metabolites/HMDB0060602"
        },
        {
          "resource": "ChemSpider",
          "url": "http://www.chemspider.com/Chemical-Structure.58958.html"
        },
        {
          "resource": "ChEBI",
          "url": "http://www.ebi.ac.uk/chebi/searchId.do?chebiId=89810"
        },
        {
          "resource": "ChEMBL",
          "url": "http://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL3410756"
        }
      ],
      "external_identifiers": [
        {
          "resource": "ChEBI",
          "identifier": 89810
        },
        {
          "resource": "ChemSpider",
          "identifier": 58958
        },
        {
          "resource": "Human Metabolome Database (HMDB)",
          "identifier": "HMDB0060602"
        }
      ],
      "synonyms": [

      ]
    }
]
}

Metabolites of the drug.

Property Type Description
drugbank_id string
alternate_drugbank_ids array Alternate identifiers used for this salt in DrugBank.
name string
synonyms array Other names for the metabolite
cas_number string
unii string Unique Ingredient Identifier (UNII) of the metabolite.
calculated_properties object Metabolite properties that have been predicted by ChemAxon or ALOGPS based on the inputed chemical structure.
external_links array Links to other websites or databases providing information about this metabolite.
external_identifiers array Identifiers used in other websites or databases providing information about this metabolite.

The following properties take the same form in metabolites as they do in drugs:

SNP Effects

{
  "snp_effects": [
    {
      "protein_name": "Cystic fibrosis transmembrane conductance regulator",
      "gene_symbol": "CFTR",
      "uniprot_id": "P13569",
      "rs_id": "rs75527207",
      "allele": "",
      "defining_change": "A allele (G > A)",
      "description": "Cystic Fibrosis patients with the A allele will response to ivacaftor",
      "pubmed_id": 23757359
      }
  ]
}

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.

Property Type Description
protein_name string Proteins involved in this SNP.
gene_symbol string Genes involved in this SNP.
uniprot_id string Universal Protein Resource (UniProt) identifiers for proteins involved in this pathway.
rs_id string The SNP Database identifier for this single nucleotide polymorphism.
allele string The alleles associated with the identified SNP.
defining_change string
description string A written description of the SNP effects.
pubmed_id integer Reference to PubMed article.

SNP Actions

{
  "snp_actions": [
    {
      "protein_name": "Cystic fibrosis transmembrane conductance regulator",
      "gene_symbol": "CFTR",
      "uniprot_id": "P13569",
      "rs_id": "rs75527207",
      "allele": "",
      "defining_change": "A allele (G > A)",
      "description": "Cystic Fibrosis patients with the A allele will response to ivacaftor",
      "pubmed_id": 23757359
      }
  ]
}

The adverse drug reactions that may occur as a result of the listed single nucleotide polymorphisms (SNPs).

SNP adverse drug reactions.

Property Type Description
protein_name string Proteins involved in this SNP.
gene_symbol string Genes involved in this SNP.
uniprot_id string Universal Protein Resource (UniProt) identifiers for proteins involved in this pathway.
rs_id string The SNP Database identifier for this single nucleotide polymorphism.
allele string The alleles associated with the identified SNP.
defining_change string
description string
pubmed_id integer Reference to PubMed article.

Sequences

{
  "sequences": [
    {
    "fasta": "> Pegfilgrastim sequence\nMTPLGPASSLPQSFLLKCLEQVRKIQGDGAALQEKLCATYKLCHPEELVLLGHSLGIPWA\nPLSSCPSQALQLAGCLSQLHSGLFLYQGLLQALEGISPELGPTLDTLQLDVADFATTIWQ\nQMEELGMAPALQPTQGAMPAFASAFQRRAGGVLVASHLQSFLEVSYRVLRHLAQP"
    }
  ]
}

The amino acid sequence; provided if the drug is a peptide.

Property Type Description
fasta string Drug sequence in FASTA format.

External Identifiers

{
  "external_identifiers": [
    {
      "resource": "Drugs Product Database (DPD)",
      "identifier": "12313"
      },
    {
      "resource": "GenBank",
      "identifier": "X03438"
      }
    ]
}

Identifiers used in other websites or databases providing information about this drug.

Property Type Description
resource string Name of the source database.
identifier string Identifier for this drug in the given resource.

Drug identifiers may be provided for the following resources:

{
  "external_links": [
    {
      "resource": "RxList",
      "url": "http://www.rxlist.com/cgi/generic3/neulasta.htm"
      },
    {
      "resource": "Drugs.com",
      "url": "http://www.drugs.com/cdi/pegfilgrastim.html"
      }
    ]
}

Links to other websites or databases providing information about this drug.

Property Type Description
resource string Name of the source website.
identifier string Identifier for this drug in the given resource.

Links may be provided for the following resources:

References

{
  "literature_references": [
    {
      "pubmed_id": 2882965,
      "citation": "Nielsen OH, Bukhave K, Elmgreen J, Ahnfelt-Ronne I: Inhibition of 5-lipoxygenase pathway of arachidonic acid metabolism in human neutrophils by sulfasalazine and 5-aminosalicylic acid. Dig Dis Sci. 1987 Jun;32(6):577-82."
      },
    ],
  "textbooks": [
    {
      "isbn": "978-0-85369-840-1",
      "citation": " Sweetman, Sean C. (2009). Contrast Media. In Martindale : The Complete Drug Reference, 36th Edition 2 Volume Set (36th ed., pp. 1478). Pharmaceutical Press."
      }
    ],
  "external_links": [
    {
      "title": "Link",
      "url": "http://en.wikipedia.org/wiki/Mesalamine"
      }
    ]
  }

In several locations within DrugBank JSON files, a collection of references is provided. These references may be to articles, textbooks, or websites. Each of these categories of reference has a defined JSON structure.

A list of articles and textbooks used to inform the information provided about this drug.

Literature References

A list of articles that were used as references for this item.

Property Type Description
pubmed_id integer The PubMed identifier for the article.
citation string Article citation in a standard format.

Textbook References

A list of textbooks that were used as references for this item.

Property Type Description
isbn string ISBN identifying the textbook.
citation string Textbook citation in a standard format.

A list of websites that were used as references for this item.

Property Type Description
url string The url of the website.
title string The title of the website.

Targets / Enzymes / Carriers / Transporters

{
  "targets": [
    {
      "id": "BE0000793",
      "name": "Granulocyte colony-stimulating factor receptor",
      "organism": "Human",
      "known_action": "yes",
      "actions": [
        "agonist"
        ],
      "references": {},
      "polypeptides": [ ]
    }
    ]
}

Each of targets, enzymes, carriers and transporters contain zero or more objects of the same format, described below.

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.

General Information

Property Type Description
id string Universal Protein Resource (UniProt) identification number.
name string
known_action string Whether the pharmacological action of the drug is due to this taget interaction.
actions string[]
references object See references
polypeptides object[ ] See polypeptides

Polypeptides

{
  "polypeptides": [
  {
    "id": "Q99062",
    "uniprot_id": "Q99062",
    "name": "Granulocyte colony-stimulating factor receptor",
    "uniprot_name": "CSF3R_HUMAN",
    "organism": "Human",
    "ncbi_taxonomy_id": 9606,
    "gene_name": "CSF3R",
    "molecular_weight": "92155.615",
    "theoretical_pi": "6.14",
    "general_function": "Receptor activity",
    "specific_function": "Receptor for granulocyte colony-stimulating factor (CSF3), essential for granulocytic maturation. Plays a crucial role in the proliferation, differientation and survival of cells along the neutrophilic lineage. In addition it may function in some adhesion or recognition events at the cell surface.",
    "signal_regions": "1-24",
    "transmembrane_regions": "628-650",
    "pdb_ids": [
      "1AZ7",
      "2D9Q"
    ],
    "genbank_gene_id": "X55721",
    "genbank_protein_id": "31697",
    "genecard_id": null,
    "chromosome_location": "1",
    "locus": "1p35-p34.3",
    "genatlas_id": "CSF3R",
    "hgnc_id": "HGNC:2439",
    "meta_cyc_id": null,
    "ncbi_sequence_ids": null,
    "tissue_specificity": null,
    "cofactor": null,
    "subunit": null,
    "cellular_location": "Secreted",
    "amino_acid_sequence": ">lcl|BSEQ0001582|Granulocyte colony-stimulating factor receptor\nMARLGNCSLTWAALIILLLPGSLEECGHISVSAPIVHLGDPITASCIIKQNCSHLDPEPQ\nILWRLGAELQPGGRQQRLSDGTQESIITLPHLNHTQAFLSCCLNWGNSLQILDQVELRAG\nYPPAIPHNLSCLMNLTTSSLICQWEPGPETHLPTSFTLKSFKSRGNCQTQGDSILDCVPK\nDGQSHCCIPRKHLLLYQNMGIWVQAENALGTSMSPQLCLDPMDVVKLEPPMLRTMDPSPE\nAAPPQAGCLQLCWEPWQPGLHINQKCELRHKPQRGEASWALVGPLPLEALQYELCGLLPA\nTAYTLQIRCIRWPLPGHWSDWSPSLELRTTERAPTVRLDTWWRQRQLDPRTVQLFWKPVP\nLEEDSGRIQGYVVSWRPSGQAGAILPLCNTTELSCTFHLPSEAQEVALVAYNSAGTSRPT\nPVVFSESRGPALTRLHAMARDPHSLWVGWEPPNPWPQGYVIEWGLGPPSASNSNKTWRME\nQNGRATGFLLKENIRPFQLYEIIVTPLYQDTMGPSQHVYAYSQEMAPSHAPELHLKHIGK\nTWAQLEWVPEPPELGKSPLTHYTIFWTNAQNQSFSAILNASSRGFVLHGLEPASLYHIHL\nMAASQAGATNSTVLTLMTLTPEGSELHIILGLFGLLLLLTCLCGTAWLCCSPNRKNPLWP\nSVPDPAHSSLGSWVPTIMEEDAFQLPGLGTPPITKLTVLEEDEKKPVPWESHNSSETCGL\nPTLVQTYVLQGDPRAVSTQPQSQSGTSDQVLYGQLLGSPTSPGPGHYLRCDSTQPLLAGL\nTPSPKSYENLWFQASPLGTLVTPAPSQEDDCVFGPLLNFPLLQGIRVHGMEALGSF",
    "number_of_residues": 836,
    "gene_sequence": ">lcl|BSEQ0010560|Granulocyte colony-stimulating factor receptor (CSF3R)\nATGGCAAGGCTGGGAAACTGCAGCCTGACTTGGGCTGCCCTGATCATCCTGCTGCTCCCC\nGGAAGTCTGGAGGAGTGCGGGCACATCAGTGTCTCAGCCCCCATCGTCCACCTGGGGGAT\nCCCATCACAGCCTCCTGCATCATCAAGCAGAACTGCAGCCATCTGGACCCGGAGCCACAG\nATTCTGTGGAGACTGGGAGCAGAGCTTCAGCCCGGGGGCAGGCAGCAGCGTCTGTCTGAT\nGGGACCCAGGAATCTATCATCACCCTGCCCCACCTCAACCACACTCAGGCCTTTCTCTCC\nTGCTGCCTGAACTGGGGCAACAGCCTGCAGATCCTGGACCAGGTTGAGCTGCGCGCAGGC\nTACCCTCCAGCCATACCCCACAACCTCTCCTGCCTCATGAACCTCACAACCAGCAGCCTC\nATCTGCCAGTGGGAGCCAGGACCTGAGACCCACCTACCCACCAGCTTCACTCTGAAGAGT\nTTCAAGAGCCGGGGCAACTGTCAGACCCAAGGGGACTCCATCCTGGACTGCGTGCCCAAG\nGACGGGCAGAGCCACTGCTGCATCCCACGCAAACACCTGCTGTTGTACCAGAATATGGGC\nATCTGGGTGCAGGCAGAGAATGCGCTGGGGACCAGCATGTCCCCACAACTGTGTCTTGAT\nCCCATGGATGTTGTGAAACTGGAGCCCCCCATGCTGCGGACCATGGACCCCAGCCCTGAA\nGCGGCCCCTCCCCAGGCAGGCTGCCTACAGCTGTGCTGGGAGCCATGGCAGCCAGGCCTG\nCACATAAATCAGAAGTGTGAGCTGCGCCACAAGCCGCAGCGTGGAGAAGCCAGCTGGGCA\nCTGGTGGGCCCCCTCCCCTTGGAGGCCCTTCAGTATGAGCTCTGCGGGCTCCTCCCAGCC\nACGGCCTACACCCTGCAGATACGCTGCATCCGCTGGCCCCTGCCTGGCCACTGGAGCGAC\nTGGAGCCCCAGCCTGGAGCTGAGAACTACCGAACGGGCCCCCACTGTCAGACTGGACACA\nTGGTGGCGGCAGAGGCAGCTGGACCCCAGGACAGTGCAGCTGTTCTGGAAGCCAGTGCCC\nCTGGAGGAAGACAGCGGACGGATCCAAGGTTATGTGGTTTCTTGGAGACCCTCAGGCCAG\nGCTGGGGCCATCCTGCCCCTCTGCAACACCACAGAGCTCAGCTGCACCTTCCACCTGCCT\nTCAGAAGCCCAGGAGGTGGCCCTTGTGGCCTATAACTCAGCCGGGACCTCTCGTCCCACT\nCCGGTGGTCTTCTCAGAAAGCAGAGGCCCAGCTCTGACCAGACTCCATGCCATGGCCCGA\nGACCCTCACAGCCTCTGGGTAGGCTGGGAGCCCCCCAATCCATGGCCTCAGGGCTATGTG\nATTGAGTGGGGCCTGGGCCCCCCCAGCGCGAGCAATAGCAACAAGACCTGGAGGATGGAA\nCAGAATGGGAGAGCCACGGGGTTTCTGCTGAAGGAGAACATCAGGCCCTTTCAGCTCTAT\nGAGATCATCGTGACTCCCTTGTACCAGGACACCATGGGACCCTCCCAGCATGTCTATGCC\nTACTCTCAAGAAATGGCTCCCTCCCATGCCCCAGAGCTGCATCTAAAGCACATTGGCAAG\nACCTGGGCACAGCTGGAGTGGGTGCCTGAGCCCCCTGAGCTGGGGAAGAGCCCCCTTACC\nCACTACACCATCTTCTGGACCAACGCTCAGAACCAGTCCTTCTCCGCCATCCTGAATGCC\nTCCTCCCGTGGCTTTGTCCTCCATGGCCTGGAGCCCGCCAGTCTGTATCACATCCACCTC\nATGGCTGCCAGCCAGGCTGGGGCCACCAACAGTACAGTCCTCACCCTGATGACCTTGACC\nCCAGAGGGGTCGGAGCTACACATCATCCTGGGCCTGTTCGGCCTCCTGCTGTTGCTCACC\nTGCCTCTGTGGAACTGCCTGGCTCTGTTGCAGCCCCAACAGGAAGAATCCCCTCTGGCCA\nAGTGTCCCAGACCCAGCTCACAGCAGCCTGGGCTCCTGGGTGCCCACAATCATGGAGGAG\nGATGCCTTCCAGCTGCCCGGCCTTGGCACGCCACCCATCACCAAGCTCACAGTGCTGGAG\nGAGGATGAAAAGAAGCCGGTGCCCTGGGAGTCCCATAACAGCTCAGAGACCTGTGGCCTC\nCCCACTCTGGTCCAGACCTATGTGCTCCAGGGGGACCCAAGAGCAGTTTCCACCCAGCCC\nCAATCCCAGTCTGGCACCAGCGATCAGGTCCTTTATGGGCAGCTGCTGGGCAGCCCCACA\nAGCCCAGGGCCAGGGCACTATCTCCGCTGTGACTCCACTCAGCCCCTCTTGGCGGGCCTC\nACCCCCAGCCCCAAGTCCTATGAGAACCTCTGGTTCCAGGCCAGCCCCTTGGGGACCCTG\nGTAACCCCAGCCCCAAGCCAGGAGGACGACTGTGTCTTTGGGCCACTGCTCAACTTCCCC\nCTCCTGCAGGGGATCCGGGTCCATGGGATGGAGGCGCTGGGGAGCTTCTAG",
    "synonyms": [
      "G-CSF receptor",
      "GCSFR"
    ],
    "go_classes": [
      {
        "category": "component",
        "description": "extracellular region"
        },
      ],
    "pfams": [
      {
        "identifier": "PF00041",
        "name": "fn3"
        },
      {
        "identifier": "PF06328",
        "name": "Lep_receptor_Ig"
        }
      ],
    "references": [
      {
        "pubmed_id": 2147944,
        "citation": "Larsen A, Davis T, Curtis BM, Gimpel S, Sims JE, Cosman D, Park L, Sorensen E, March CJ, Smith CA: Expression cloning of a human granulocyte colony-stimulating factor receptor: a structural mosaic of hematopoietin receptor, immunoglobulin, and fibronectin domains. J Exp Med. 1990 Dec 1;172(6):1559-70."
        },
      ]
    }
  ]
}

Descriptions of identified polypeptide targets, enzymes, carriers, or transporters.

Property Type Description
id string Universal Protein Resource (UniProt) identifier.
uniprot_id string Universal Protein Resource (UniProt) identifier.
name string
uniprot_name string Universal Protein Resource (UniProt) name.
organism string The organism in which this polypeptide functions.
ncbi_taxonomy_id string The NCBI Taxonomy identifier.
gene_name string
molecular_weight string The molecular weight of the polypeptide.
theoretical_pi string Theoretical isoelectric point.
general_function string General summary of the physiological function of the polypeptide.
specific_function string A more specific description of the polypeptide’s physiological function within the cell.
signal_regions string Location of any signal peptides within the polypeptide sequence.
transmembrane_regions string Areas of the polypeptide sequence that span a biological membrne.
pdb_ids string[] The Protein Data Bank (PDB) identifier.
genbank_gene_id string The GenBank gene identifier.
genbank_protein_id string The GenBank protein identifier.
genecard_id string The GeneCards identifier.
chromosome_location string The chromosomal location of the polypeptide gene.
locus string The specific chromosomal location or position of the gene’s sequence on a chromosome.
genatlas_id string The GenAtlas identifier.
hgnc_id string The HUGO Gene Nomenclature Committee (HGNC) identifier.
meta_cyc_id string The MetaCyc identifier.
ncbi_sequence_ids string The NCBI Sequence identifier.
tissue_specificity string 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.
cofactor string The cofactors involved in polypeptide function.
subunit string
cellular_location string The cellular location of the polypeptide.
amino_acid_sequence string The amino acid sequence of the polypeptide.
number_of_residues string Number of amino acid residues within the polypeptide protein sequence.
gene_sequence string The sequence of the associated gene.
synonyms string[] Alternate names or identifiers that may be associated with this polypeptide.
go-classes object[] The Gene Ontology (GO) Consortium identifier.
pfams object[] The protein family (pfam) identifier.
references object[] Any relevant references.