compound 4b [PMID: 20690647]

Ligand id: 8614

Name: compound 4b [PMID: 20690647]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 4
Rotatable bonds 19
Topological polar surface area 192.45
Molecular weight 582.29
XLogP 3.41
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Compound 4b inhibits calpain 2 with a Ki of 77nM.
Selectivity at pig enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
calpain 1 Inhibitor Inhibition 7.6 pKi - 1
pKi 7.6 (Ki 2.3x10-8 M) [1]