BENAZEPRIL HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII N1SN99T69T
EPA CompTox DTXSID9045922

Structure

InChI Key VPSRQEHTHIMDQM-FKLPMGAJSA-N
Smiles CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O.Cl
InChI
InChI=1S/C24H28N2O5.ClH/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28;/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28);1H/t19-,20-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29ClN2O5
Molecular Weight 460.96
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 31.0

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
- - - - 84.15-101.21
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 84.15-101.21

Target Conservation

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

Cross References

Resources Reference
ChEBI 3012
ChEMBL CHEMBL1694
FDA SRS N1SN99T69T
KEGG C07701
SureChEMBL SCHEMBL42194
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