QUINAPRIL HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1991)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: 33067B3N2M
Parent Compound: QUINAPRIL

Structure
InChI Key IBBLRJGOOANPTQ-JKVLGAQCSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Angiotensin-converting enzyme 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
- - - - 110

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 4 D006973 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
15.76
Immune system disorders
11.32
Nervous system disorders
9.94
Respiratory, thoracic and mediastinal disorders
7.32
Vascular disorders
7.28
Cardiac disorders
6.28
Skin and subcutaneous tissue disorders
5.86
Musculoskeletal and connective tissue disorders
5.27
Injury, poisoning and procedural complications
5.01
Gastrointestinal disorders
4.86
Investigations
4.74
Psychiatric disorders
2.84
Infections and infestations
2.24
Metabolism and nutrition disorders
2.24

Cross References

Resources Reference
ChEBI 8714
ChEMBL CHEMBL1201011
EPA CompTox DTXSID3021221
FDA SRS 33067B3N2M
KEGG C07340
PubChem 54891
SureChEMBL SCHEMBL41404
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