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 ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
Caspase 3 Inhibitor Inhibition 9.8 pIC50 - 1
pIC50 9.8 (IC50 1.6x10-10 M) [1]