boceprevir

Ligand id: 7876

Name: boceprevir

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 150.7
Molecular weight 519.34
XLogP 2.83
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Selectivity at human enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
Cathepsin A Inhibitor Inhibition 6.0 pIC50 - 1
pIC50 6.0 (IC50 1x10-6 M) [1]