CHEM 4720 - Drug Design and Development: Property Sources

Property Search

Sources for property information

• CHEMnetBASE A database of property dictionaries and handbooks
• ChemID Plus
  provides access to structure and nomenclature information for the identification of chemical substances cited in NLM databases.
• DrugBank a bioinformatics and cheminformatics resource combining detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information
• Brenda the comprehensive enzyme information system.
• PubChem Compound
• Protein Data Bank (PDB)
• Cambridge Structure Database Pop-up Blocker must be turned off.
  Database of crystal structure data for organic compounds. Includes compounds in the Protein Databank.
• ChemSpider  A search system that links compound information across the Web. Owned by the Royal Socity of Chemistt=ry
• NIST Data Gateway
  The NIST gateway provides easy access to NIST scientific and technical data covering a broad range of substances and properties including: solubility, kinetic, spectral, thermodynamic and many others including:
  • NIST Chemistry WebBook
  • NIST/TRC Web Thermo Tables

• Reaxys The major databases of properties for organic, organometallic, and inorganic compounds. Includes Beilstein, Gmelin and an organic chemistry patent database.

Drug Resources

• Drug Information Portal
  "Quick access to quality drug information" from the National Library of Medicine
• DrugBank
  The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information.
• Drugs.com
  Drugs.com, the most popular, comprehensive and up-to-date drug information resource available online. Fast, easy searching on over 24,000 prescription and over the counter medicines..
• US FDA Center for Drug Research and Evaluation
  A page of information about the products regulated by the FDA. This would be a reliable source for finding drug websites. The Drug tab has a welath of information on drug approvals and the process, clinical trials, compliance, regulation, science and research, and news.