compound 2 [PMID: 8410973]

Ligand id: 6566

Name: compound 2 [PMID: 8410973]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 22
Topological polar surface area 174.55
Molecular weight 713.36
XLogP 5.7
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

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
cathepsin E Hs Inhibitor Inhibition 10.0 pKi - 1
pKi 10.0 (Ki 1x10-10 M) [1]