Ligand id: 6527


Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 7
Rotatable bonds 20
Topological polar surface area 245.37
Molecular weight 502.19
XLogP -2.51
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Caspase 3 Hs Inhibitor Inhibition 9.8 pIC50 - 1
pIC50 9.8 (IC50 1.6x10-10 M) [1]