compound 1 [PMID: 18507370]

Ligand id: 8673

Name: compound 1 [PMID: 18507370]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 33.12
Molecular weight 247.1
XLogP 5.56
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!)

Bioactivity Comments
Compound 1 does not inhibit neprilysin [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Endothelin-converting enzyme 2 Inhibitor Inhibition 5.2 pIC50 - 1
pIC50 5.2 (IC50 6.42x10-6 M) [1]