compound 22 [PMID: 19899765]

Ligand id: 6562

Name: compound 22 [PMID: 19899765]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 18
Topological polar surface area 167.63
Molecular weight 667.24
XLogP 10.43
No. Lipinski's rules broken 2

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
Endothelin-converting enzyme 1 Hs Inhibitor Inhibition 5.9 pKi - 1
pKi 5.9 (Ki 1.2x10-6 M) [1]