compound 1 [PMID: 18507370]

Ligand id: 8673

Name: compound 1 [PMID: 18507370]

Structure and Physico-chemical Properties

2D Structure
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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 4.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
Compound 1 does not inhibit neprilysin [1].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Endothelin-converting enzyme 2 Hs Inhibitor Inhibition 5.2 pIC50 - 1
pIC50 5.2 (IC50 6.42x10-6 M) [1]