Ligand id: 5158

Name: captopril

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View more information in the IUPHAR Pharmacology Education Project: captopril

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 96.41
Molecular weight 217.08
XLogP 0.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Michaud A, Williams TA, Chauvet MT, Corvol P. (1997)
Substrate dependence of angiotensin I-converting enzyme inhibition: captopril displays a partial selectivity for inhibition of N-acetyl-seryl-aspartyl-lysyl-proline hydrolysis compared with that of angiotensin I.
Mol. Pharmacol., 51 (6): 1070-6. [PMID:9187274]