QUINAPRIL HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 33067B3N2M
EPA CompTox DTXSID3021221
Parent Compound: QUINAPRIL

Structure

InChI Key IBBLRJGOOANPTQ-JKVLGAQCSA-N
Smiles CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O.Cl
InChI
InChI=1S/C25H30N2O5.ClH/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);1H/t17-,21-,22-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H31ClN2O5
Molecular Weight 474.99
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

Mechanism of Action Action Reference
Angiotensin-converting enzyme inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 98.34-109.51
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 98.34-109.51

Target Conservation

Protein: Angiotensin-converting enzyme
Description: Angiotensin-converting enzyme
Organism : Homo sapiens
P12821 ENSG00000159640

Cross References

Resources Reference
ChEBI 8714
ChEMBL CHEMBL1201011
FDA SRS 33067B3N2M
KEGG C07340
PubChem 54891
SureChEMBL SCHEMBL41404
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