compound 20 [PMID: 12372533]

Ligand id: 8555

Name: compound 20 [PMID: 12372533]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 7
Rotatable bonds 25
Topological polar surface area 255.79
Molecular weight 870.47
XLogP 3.76
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

Bioactivity Comments
Compound 20 inhibits HCV NS3 protease activity with a Ki of 6nM [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
chymotrypsin C Hs Inhibitor Inhibition 7.3 pKi - 1
pKi 7.3 (Ki 5x10-8 M) [1]