captopril

Ligand Id: 5158
Ligand name captopril

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


Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1981))
IUPAC Name
(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
International Nonproprietary Names
INN number INN
4373 captopril
Synonyms
Capoten®
SQ-14225
Database Links
CAS Registry No. 62571-86-2
ChEBI CHEBI:3380
ChEMBL Ligand CHEMBL1560
DrugBank Ligand DB01197
PubChem CID 44093
Search Google for chemical match using the InChIKey FAKRSMQSSFJEIM-RQJHMYQMSA-N
Search Google for chemicals with the same backbone FAKRSMQSSFJEIM
Search PubMed clinical trials captopril
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Wikipedia Captopril
Comments
Captopril is a potent, competitive angiotensin-converting enzyme (ACE) inhibitor, and is one of few that that is not a prodrug.