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Cambridge MedChem Consulting

ChEMBL 22 Released

ChEMBL 22 has been released. ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data).

This version of the database, prepared on 8th August 2016 contains:

  • 2,043,051 compound records
  • 1,686,695 compounds (of which 1,678,393 have mol files)
  • 14,371,219 activities
  • 1,246,132 assays
  • 11,224 targets
  • 65,213 documents

There is more information in the ChEMBL blog post