compound 28 [PMID: 18324760]

Ligand id: 6555

Name: compound 28 [PMID: 18324760]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 133.82
Molecular weight 452.21
XLogP 3.88
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
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Angiotensin-converting enzyme 2 Inhibitor Inhibition 9.9 pKi - 1
pKi 9.9 (Ki 1.3x10-10 M) [1]