compound 20 [PMID:12127536]

Ligand id: 8650

Name: compound 20 [PMID:12127536]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 15
Topological polar surface area 192.11
Molecular weight 658.28
XLogP 4.28
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

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

Bioactivity Comments
Compound 20 inhibits cytotoxic T lymphocyte-mediated apoptosis in vitro [1].
Compound 20 inhibits caspase 3 with a Ki of 26nM [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
granzyme B Hs Inhibitor Inhibition 8.1 pKi - 1
pKi 8.1 (Ki 7x10-9 M) [1]