compound 8a [PMID: 22861813]

Ligand id: 7891

Name: compound 8a [PMID: 22861813]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 98.74
Molecular weight 383.13
XLogP 4.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Cathepsin A Inhibitor Inhibition 7.4 pIC50 - 1
pIC50 7.4 (IC50 3.8x10-8 M) [1]