Diversity libraries

Diversity libraries

  • ChemDiv subset
    • Diversity selection of 10,000 compounds
    • Approx. 50% of the compounds have the ability to cross the blood brain barrier (information from calculations)
  • Enamine subset
    • Diversity selection of 10,000 compound
  • ChemBridge subset
    • Diversity selection of 5,000 compounds
  • ChemDiv Protein-Protein Interaction (PPI) subset
    • Diversity selection of 5,000 compounds
    • Focus on PPI inhibition

 

Selection criteria for diversity libraries:

  • Diversity within each library and between the 3 diversity sets
  • MW < 600 g/mol
  • Compounds with good parameters (logS/logP) for solubility
  • Lipinski’s rule of 5 (as far as possible)
  • Purity > 90%
  • Filters to exclude
    • reactive, unstable and toxic chemical groups
    • chemotypes proven to impart acute or chronic toxicity
    • trivial compounds present in commercial random libraries