QUINAPRIL

Search structure
Synonyms:
Status: Approved (1991)
Entry Type: Small molecule
Molecule Category: Parent Prodrug
ATC: C09AA06
UNII: RJ84Y44811

Structure
InChI Key JSDRRTOADPPCHY-HSQYWUDLSA-N
Smile CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O
InChI
InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H30N2O5
Molecular Weight 438.52
AlogP 2.57
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 95.94
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 8-8 - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 15500-94000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 85441-61-8
ChEBI 8713
ChEMBL CHEMBL1592
DrugBank DB00881
DrugCentral 2340
EPA CompTox DTXSID4023547
FDA SRS RJ84Y44811
Human Metabolome Database HMDB0015019
Guide to Pharmacology 6350
KEGG C07398
PharmGKB PA451205
PubChem 54892
SureChEMBL SCHEMBL15813
ZINC ZINC000003801163
CONTENTS