产品详情

Biological activity

•   Each selected compound contains a least one drug fragment. Each drug fragment are derived from 2946 FDA-approved drugs by BRICS and Recap algorithm and the simple fragment were removed.

•   1,000,000 drug-like compounds contain 702,902 unique BM scaffolds (Bemis-Murcko).

•   For each BM scaffold, 1 to 3 compounds with higher number of drug fragments were selected to occupy a broader ‘drug-like chemical space’.

•   Compounds passed all MedChem selection filters, particularly pan assay interference compound (PAINS) motifs, to remove any inappropriate chemical structures and avoid false hits.