compound 3d [PMID: 3941405]

Ligand id: 8622

Name: compound 3d [PMID: 3941405]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 78.91
Molecular weight 203.11
XLogP 1.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
We have mapped the interaction of this inhibitor to human cathepsin C, although the species of the recombinant enzyme used in the experiments is unclear in [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
cathepsin C Hs Inhibitor Inhibition 5.6 pKi - 1
pKi 5.6 (Ki 2.7x10-6 M) [1]