compound 5a [PMID: 20690647]

Ligand id: 8615

Name: compound 5a [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 183.22
Molecular weight 614.3
XLogP 6.26
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 5a inhibits calpain 1 with a Ki of 55nM [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
calpain 2 Pig Inhibitor Inhibition 7.2 pKi - 1
pKi 7.2 (Ki 6.8x10-8 M) [1]