Chemical Diversity Libraries

 Chemical Compound Library

 Compound libraries were acquired for the CCG based on evaluation of their uniqueness compared to each other, structural diversity, availability of neat sample for rapid follow up, and computed structural properties such as molecular weight, logP, polar surface area, number of rotatable bonds, and the presence of reactive or toxic structural motifs; structural properties which affect the lead-like quality of a compound.

174,000 diverse small molecule compounds

• 16,000  Maybridge HitFinder
• 13,000 ChemBridge
• 120,000 ChemDiv
• 2,000 Spectrum (FDA approved drug collection)
  • 70 compounds (3.5%) approved for and restricted to agricultural use;
  • 343 compounds (17.15%) with reported biological activites at the experimental level;
  • 629 natural products and derivatives (31.45%) with undetermined biological activities; and
  • 958 known drugs (47.9%) that have been used in human therapy
• 3,000 NCI
• 3,000 Chemical Methodology Library Development (CMLD) Program (pdf)
• 450 NIH Collection - approximately 450 small molecules that have a history of use in human clinical trials
•  >30,000 Natural Product Extracts, updated quarterly (pdf); Link to the David Sherman Lab
• siRNA Library Collection (pdf)
• 106 Enzo Life Sciences Kinase Inhibitor Library (pdf)
• 217 ChemBridge KINAset Library (pdf)

20,000,000 structure external library available