benazeprilat   Click here for help

GtoPdb Ligand ID: 6375

Synonyms: CGS-14831
Approved drug
benazeprilat is an approved drug (FDA (1991))
Compound class: Synthetic organic
Comment: This is the active metabolite (drug) of the prodrug benazepril
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 106.94
Molecular weight 396.17
XLogP 2.53
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)CN1C(=O)C(CCc2c1cccc2)NC(C(=O)O)CCc1ccccc1
Isomeric SMILES OC(=O)CN1C(=O)[C@H](CCc2c1cccc2)N[C@H](C(=O)O)CCc1ccccc1
InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1991))
Prodrug benazepril
IUPAC Name Click here for help
(2S)-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid
International Nonproprietary Names Click here for help
INN number INN
6128 benazeprilat
Synonyms Click here for help
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9619040, R-ALL-9614940
Reactome Reaction Reactome logo R-HSA-9614933, R-HSA-9619034
Other databases
CAS Registry No. 89747-91-1 (source: PubChem)
ChEMBL Ligand CHEMBL1192519
GtoPdb PubChem SID 178102993
PubChem CID 5463984
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UniChem Compound Search for chemical match using the InChIKey MADRIHWFJGRSBP-ROUUACIJSA-N
UniChem Connectivity Search for chemical match using the InChIKey MADRIHWFJGRSBP-ROUUACIJSA-N