quinapril

Ligand id: 6350

Name: quinapril

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 95.94
Molecular weight 438.22
XLogP 6.38
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1991))
Is prodrug? Yes
Active form quinaprilat
IUPAC Name
(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
International Nonproprietary Names
INN number INN
5780 quinapril
Synonyms
Accupril® | Accupro® | CI-906
Database Links
CAS Registry No. 85441-61-8 (source: PubChem)
ChEBI CHEBI:8713
ChEMBL Ligand CHEMBL1592
DrugBank Ligand DB00881
PubChem CID 54892
Search Google for chemical match using the InChIKey JSDRRTOADPPCHY-HSQYWUDLSA-N
Search Google for chemicals with the same backbone JSDRRTOADPPCHY
Search PubMed clinical trials quinapril
Search PubMed titles quinapril
Search PubMed titles/abstracts quinapril
Search UniChem for chemical match using the InChIKey JSDRRTOADPPCHY-HSQYWUDLSA-N
Search UniChem for chemicals with the same backbone JSDRRTOADPPCHY
Wikipedia Quinapril
Comments
Quinapril is a pro-drug, converted to its active metabolite, quinaprilat, in the liver.
Marketed formulations may contain quinapril hydrochloride (PubChem CID 54891).