NAV

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
  • Automatic
 yes yes
Creation Date Date/time the entry was created
  • Automatic
 yes yes
Update Date Date/time the entry was last updated
  • Automatic
 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.
  • Automatic
 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).
  • Automatic
 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).
  • Manual Search
 yes yes
Groups Can be one or more of: Approved, Vet approved, Nutraceutical, Illicit, Withdrawn, Investigational, and Experimental.
  • Manual Search
 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
  • Manual Search
  • FDA
 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