KEGG DRUG Database
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KEGG DRUG is a comprehensive drug information resource for approved drugs in Japan, USA, and Europe that are unified based on the chemical structures and/or the chemical components. Specifically, all the marketed drugs in Japan, not only the prescription drugs but also the OTC drugs, are fully represented in KEGG DRUG and linked to the package insert information (labels information). These include crude drugs and TCM (Tradictional Chinese Medicine) drugs.
Each KEGG DRUG entry is identified by the D number distinguishing the chemical structure of chemicals or the chemical component of mixtures. It is associated with following information (see, for example, D01441 or Gleevec for the treatment of chronic myeloid leukemia).
- Generic names (associated with chemical structures, see details below)
- Representative trade names
- Chemical structure, chemical component, peptide/polyketide sequence
- Target molecules in the context of KEGG pathway maps
- Drug metabolizing enzymes and transporters
- Other interacting molecules including genomic biomarkers, CYP inducers/inhibitors, etc.
- Adverse drug-drug interaction data (collected from the Japanese package inserts)
- Text description of activity and efficacy
- Therapeutic category, ATC code, and other drug classification information in BRITE hierarchy
- History of drug development represented as a KEGG DRUG structure map
- Links to outside databases
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Drug Classification
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For representation of efficacy and therapeutic use, different drug classification systems are maintained as part of the KEGG BRITE functional hierarchies. The first group is based on the established classification systems to which KEGG DRUG entries are assigned.
The second group consists of additional classification systems developed by KEGG.
Target and other information in KEGG can be viewed as part of the drug classification. This is accomplished by joining a BRITE hierarchy file and a binary relation file with the D number as a key.
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Molecular Interaction Network
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KEGG DRUG contains information about two types of molecular networks. One is the molecular interaction network involving target and other molecules. The drug-target relationship is not simply a molecule-molecule relationship. The target is given in the context of KEGG pathways, enabling the analysis of drugs as perturbants to molecular systems (see KEGG DISEASE).
Additional information about molecular interaction networks includes drug metabolizing enzymes, drug transporters, drug interactions, and pharmacogenomic markers.
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Chemical Structure Transformation Network
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The other molecular network is a chemical structure transformation network.
Many marketed drugs have been developed from lead compounds or existing drugs by introducing chemical structure transformations retaining the core chemical structures. KEGG DRUG structure maps graphically illustrate, in a manner similar to KEGG pathway maps, our knowledge on such drug development. They are in the Drug Development category of the KEGG PATHWAY database.
Human genomes have been extensively utilized for drug target discovery and personalized medicine. In contrast, the genomes of microorganisms and plants provide a far less explored space of possible drug leads. Our knowledge on natural products is being organized in KEGG such as classification systems based on biosynthetic pathways (see KEGG EDRUG).
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Generic Names and Trade Names
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The chemical structure of a drug is identified by the standardized generic name, but the names can be different in different countries or organizations. The same structure may be called differently and the same name may mean different structures. To accomodate such differences the generic names are associated with the following codes in parentheses.
- JAN - Japanese Approved Name
- USAN - United States Adopted Name
- NF - National Formulary drug name
- INN - International Nonproprietary Name
- BAN - British Approved Name
- DCF - Dénomination commune française
In addition, drugs listed in the pharmacopoeia are denoted by:
- JP15 - Japanese Pharmacopoeia, 15th edition
- USP - United States Pharmacopeia
which also imply the JAN and USAN names, respectively.
Selected trade names (TNs) are also given in each KEGG DRUG entry. More names may be found from the outside link to DailyMed, which provides FDA approved labels information of marketed drugs.
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Drugs in Japan
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In Japan the Pharmaceutical Affairs Law (PAL) regulates manufacturing and marketing of paharmaceutical products and medical devices. KEGG attempts to extract, translate, and present useful information from this law and associated regulations. The following BRITE hierarchy files show the list of drugs in the Japanese Pharmacopoeia (Article 41 of PAL).
Labels information (in Japanese) of all marketed drugs in Japan is provided through the Japanese version of KEGG DRUG.
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Other Documents
Last updated: July 17, 2010
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