Drug bank

DrugBank 3.0: a comprehensive resource for Omics research on drugs Craig Knox,1 Vivian Law,2 Timothy Jewison,1 Philip Liu,3 Son Ly,2 Alex Frolkis,1 Allison Pon,1 Kelly Banco,2 Christine Mak,2 Vanessa Neveu,1 Yannick Djoumbou,3 Roman Eisner,1 An Chi Guo,1 and David S. Wishart1,2,3,4*

 For a pharmaceutical company, finding a new blockbuster drug (>$1 billion/year sales) is a little like winning the lottery. And not just with respect to the big money. In order to be successful, a new drug must satisfy several criteria: Must be safe to use Must be effective for the intended use Must be stable (chemically and metabolically) Must have a good solubility profile Must be synthetically feasible Must be novel (read: patentable)

Introduction
Richly annotated database of drug and drug target information The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug The database contains 6796 drug entries including 1437 FDA-approved small molecule drugs, 134 FDA-approved biotech (protein/peptide) drugs, 83 nutraceuticals and 5174 experimental drugs

 Additionally, 4285 non-redundant protein (i.e. drug target/enzyme/transporter/carrier) sequences are linked to these drug entries Each DrugCard entry contains more than 150 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data. simple text query

 Clicking on the Browse button (on the DrugBank navigation panel above) generates a tabular synopsis of DrugBank's content.

Comparison between the coverage in DrugBank 1.0, 2.0 and DrugBank 3.0

New data fields

Pharmacometabolomics
Drug metabolites play an important role in understanding adverse drug effects, in determining therapeutic indices and in leading to secondary or off-target therapeutic effects.

Mechanism Of Action Absorption Toxicity Protein Binding Biotransformation Half Life Route of Elimination Volume of Distribution Clearance

Dosage Forms Drug Interactions Food Interactions Pathways Organisms Affected General References

Target/Enzyme/Transporter/Carrier Field Documentation

 Chemical Abstracts Service registration number (CAS#) Definition Unique number assigned to a specific chemical (identified by its chemical name) by the American Chemical Society and indexed in Chemical Abstracts published by Chemical Abstracts Service in the US.

 CAS numbers are used widely for accurate identification of materials and quick retrieval of their chemical and safety information.