Field Descriptions
Drug Fields
Data sources indicate the source of the information present in each field. Data sources do not indicate that all sources were used for a particular field and drug. Individual drug reference information can be found in the "General References" section of each drug.
| Field | Description | Sources | Small Molecule? | Biotech? |
|---|---|---|---|---|
| Version | Entry version |
| yes | yes |
| Creation Date | Date/time the entry was created |
| yes | yes |
| Update Date | Date/time the entry was last updated |
| yes | yes |
| DrugBank ID (Primary Accession Number) | Unique DrugBank accession number consisting of a 2 letter prefix (DB) and a 5 number suffix. This ID is used to access the drug entry via the URL. If an entry is deleted, it's DrugBank ID will not be reused. |
| yes | yes |
| Secondary Accession Number | DrugBank release 1.0 accession number consisting of the 4 letter prefix and a 5 number suffix. Each Accession number is unique to the drug's generic name. The 4 letter suffix (APRD, EXPT, BIOD, NUTR) indicates the type of drug (APRD=approved small molecule drug, EXPT=experimental drug, BIOD=biotech drug, NUTR=nutraceutical or natural product). |
| yes | yes |
| Name | Standard name of drug as provided by drug manufacturer | yes | yes | |
| Type | Can be one of Small molecule or Biotech (see definition list in introduction). |
| yes | yes |
| Groups | Can be one or more of: Approved, Vet approved, Nutraceutical, Illicit, Withdrawn, Investigational, and Experimental. |
| yes | yes |
| Description | Description of the drug describing general facts, composition and/or preparation. | yes | yes | |
| Kingdom | Organic or Inorganic |
| yes | yes |
| Classes | Drug classes form the major component of the classification system. Drugs with the same class are considered structurally similar. |
| yes | yes |
| Substructures and Functional Groups | All substructures and functional groups calculated from the structure for the drug. This is a superset of the Classes. |
| yes | yes |
| Synonyms | Alternate names of the drug | yes | yes | |
| Brand Names | Brand names from different manufacturers | yes | yes | |
| Brand Mixtures | Brand names and composition of mixtures that include the given drug | yes | yes | |
| Manufacturers | Companies known to manufacturer the given drug | yes | yes | |
| Packaging Companies | Companies which package and sell the given drug | yes | yes | |
| Prices | Unit cost drug prices in U.S. dollars | yes | yes | |
| Patents | Drug patents for the given drug | yes | yes | |
| Chemical IUPAC Name | IUPAC or standard chemical name for the drug |
| yes | no |
| Chemical Formula | Chemical formula describing atomic or elemental composition |
| yes | yes |
| Average Molecular Weight | Molecular weight in g/mol, determined from molecular formula or sequence |
| yes | yes |
| Monoisotopic Molecular Weight | The sum of the masses of the atoms in a molecule using the unbound, ground-state, rest mass of the principle (most abundant) isotope for each element instead of the isotopic average mass. |
| yes | no |
| Structure | For small molecule drugs, the 2D chemical structure including links to download and view the structure in various formats. For biotech drugs, an image of the 3D structure and links to view the 3D structure in the structure viewer. |
| yes | yes |
| SMILES | Isomeric SMILES string corresponding to drug structure |
| yes | no |
| InChI | Standard InChI identifier |
| yes | no |
| InChI Key | Standard InChI key |
| yes | no |
| CAS Registry Number | Chemical Abstract Service identification number | yes | yes | |
| KEGG Drug ID | Kyoto Encyclopedia of Genes and Genomes drug identification number (if molecule is in KEGG) | yes | yes | |
| KEGG Compound ID | Kyoto Encyclopedia of Genes and Genomes compound identification number (if molecule is in KEGG) | yes | yes | |
| PubChem Compound ID | NCBI's PubChem database compound identification number | yes | yes | |
| PubChem Substance ID | NCBI's PubChem database subtance identification number | yes | no | |
| ChemSpider ID | ChemSpider identification number | yes | no | |
| BindingDB ID | BindingDB identification number | yes | yes | |
| ChEBI ID | EBI's Chemicals of Biological Interest identification number (if drug is in ChEBI) | yes | no | |
| ChEMBL ID | ChEMBL identification number | yes | no | |
| Stitch ID | Stitch identification number | yes | yes | |
| Therapeutic Targets Database (TTD) ID | Therapeutic Targets Database identification number | yes | yes | |
| PharmGKB ID | Pharmacogenomics Knowledge Base identification number (if molecule is in PharmGKB) | yes | yes | |
| HET ID | PDB identificatin number (if molecule is in PDB, ChemPDB or Ligand Depot) | yes | no | |
| UniProt ID/Name | UniProt database ID number | no | yes | |
| GenBank ID | GenBank database ID number | no | yes | |
| Drug Product ID | Drug Product Database Drug Identification Number | yes | yes | |
| RxList Link | Link to RxList entry for the given drug (if it exists) | yes | yes | |
| Drugs.com Link | Link to Drugs.com for the given drug (if it exists) | yes | yes | |
| PDRhealth Link | Link to PDRhealth entry for the given drug (if it exists) | yes | yes | |
| Wikipedia Link | Link to Wikipedia entry for the given drug (if it exists) | yes | yes | |
| FDA Label | Food and Drug Administration approval label (if it exists) | yes | yes | |
| Material Safety Data Sheet | Material Safety Data Sheet (MSDS) (if it exists) |
| yes | yes |
| Synthesis Reference | Reference or patent number to description of drug's synthesis | yes | yes | |
| State | Physical state (solid, liquid, gas) |
| yes | yes |
| Melting Point | Melting point in degrees Celsius | yes | yes | |
| Boiling Point | Boiling point in degrees Celsius | yes | yes | |
| Experimental Water Solubility | Water solubility in mg/mL or g/L | yes | yes | |
| Predicted Water Solubility | Predicted water solubility in mg/mL | yes | no | |
| Experimental LogP/Hydrophobicity | Water/octanol partition coefficient (if small molecule) or hydrophobicity score (Gravy score) if protein/peptide | yes | yes | |
| Predicted LogP/Hydrophobicity | Predicted water/octanol partition coefficient |
| yes | no |
| Predicted LogS | Predicted LogS (water solubility) |
| yes | no |
| Experimental LogS | Experimental LogS (water solubility) | yes | yes | |
| Experimental Caco2 Permeability | Caco-2 permeability coefficients | yes | yes | |
| pKa/Isoelectric Point | Dissociation constant (pKa) if small molecule, pH at which protein has no charge (if protein drug) | yes | yes | |
| Mass Spectrum | Image of EI Mass Spectrum of drug (if it exists) | yes | no | |
| Experimental PDB Entries | PDB identification number if structure of drug exists in PDB | yes | yes | |
| Category | Therapeutic category or general category of drug (anti-convulsant, antibacterial, etc.) |
| yes | yes |
| ATC Codes | WHO drug classification system (ATC) identifiers | yes | yes | |
| AHFS Codes | AHFS Drug Information identifiers | yes | yes | |
| Indication | Description or common names of diseases that the drug is used to treat |
| yes | yes |
| Pharmacodynamics | Description of how the drug works at a clinical or physiological level | yes | yes | |
| Mechanism of Action | Description of how the drug works or what it binds to at a molecular level | yes | yes | |
| Absorption | Description of how much of the drug or how readily the drug is taken up by the body | yes | yes | |
| Toxicity | Lethal dose (LD50) values from test animals, description of side effects and toxic effects seen in humans |
| yes | yes |
| Protein Binding | Percentage of the drug that is bound in plasma proteins | yes | yes | |
| Metabolism | Mechanism by which or organ location where the drug is neutralized | yes | yes | |
| Half Life | Half life of drug in body, measured in hours or days |
| yes | yes |
| Route of Elimination | Route by which the drug is eliminated. Drugs are cleared primarily by the liver and kidneys. | yes | yes | |
| Volume of Distribution | The apparent volume of distribution is the theoretical volume of fluid into which the total drug administered would have to be diluted to produce the concentration in plasma | yes | yes | |
| Clearance | Clearance is a descriptive term used to evaluate efficiency of drug removal from the body | yes | yes | |
| Dosage Forms | How the drug is dispensed (tablets, capsules, solutions, etc.) | yes | yes | |
| Drug Interactions | Drugs that are known to interact, interfere or cause adverse reactions when taken with this drug | yes | yes | |
| Food Interactions | Foods that are known to interact, interfere or cause adverse reactions when taken with this drug | yes | yes | |
| Pathways | Drug pathways in which the given drug is involved | yes | yes | |
| Organisms Affected | Names of organisms for which the drug is most effective |
| yes | yes |
| General References | General on-line reference to other details about the drug |
| yes | yes |
