CAA0225

Ligand id: 6532

Name: CAA0225

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 120.06
Molecular weight 487.21
XLogP 5.9
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!)

Selectivity at rat enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
cathepsin L Inhibitor Inhibition 8.7 pIC50 - 1
pIC50 8.7 (IC50 1.9x10-9 M) [1]