UCSF

ZINC35379666

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 31 No

Popular Name: Benazepril hydrochloride Benazepril hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 109010-10-8 , 215447-90-8 , 8654-13-5; 86541-74-4; 86541-75-5; 88372-38-7 , 86541-74-4 , 86541-75-5 , 88372-38-7

Other Names:

(3S)-3-(((1S)-1-Carboxy-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid, 3-ethyl ester, monohydrochloride; 1H-1-Benzazepine-1-acetic acid, 2,3,4,5-tetrahydro-3-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-2-oxo-, monohydrochlor

(S)-2-((S)-1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-4-phenyl-butyric acid ethyl ester

pril

1H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (S-(R*,R*))-

1H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (S-(R*,R*))-; Benazepril

1H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (S-(R*,R*))-; Benazepril; Benazepril [INN:BAN]; Benazeprilum [Latin]; C24H28N2O5; CGS-14824-A; CGS-14824A; LS-27973; Lotensin; Lotrel; Mixture Name; be

2-((r)-3-((s)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)-2-oxo-2,3,4,5-tetrahydro-1h-benzo[b]azepin-1-yl)aceticacidhydrochloride

2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid

86541-74-4; Benazepril hydrochloride (JAN/USAN); D00620; Lotensin (TN)

86541-74-4; Benazepril hydrochloride; C07701

86541-75-5

86541-75-5; Benazepril (INN); Benazepril Sandoz (TN); D07499; Forteekor [veterinary] (TN)

AC1NSFPL

AMLODIPINE BESYLATE; BENAZEPRIL HYDROCHLORIDE; C24H28N2O5.C20H25ClN2O5.C6H6O3S.Cl; LOTREL; LS-178578

benazapril

Benazepril

Benazepril hydrochloride

Benazepril (BAN

Benazepril (INN)

Benazepril HCl

BENAZEPRIL HCl; CPD000469199; SAM001246712

BENAZEPRIL HYDROCHLORIDE; CPD000469199; SAM001246712

Benazepril Sandoz

Benazepril Sandoz (TN)

Benazepril [INN:BAN]

benazeprilhydrochloride

Benazeprilum

Benazeprilum [Latin]

benzazepril

BIDD:GT0800

BRD-A15131297-003-01-9

BRD-K49807096-003-02-3

Briem

BSPBio_003487

C06843

CGS-14824-A

CGS-14824A

CGS-14824A HCl; CGS-14824A

CGS-14824A; CGS-14824A HCl

CHEBI:3011

CHEMBL838

Cibacen

Cibacene

CID5362124

CPD000469199; BENAZEPRIL HCl

D07499

DAP000584

DB00542

FDA)

Forteekor [veterinary]

Forteekor [veterinary] (TN)

INN); Benazepril HCl (FDA

INN); Benazepril HCl (JAN

INN); Benazepril Hydrochloride (FDA

JAN

KBio2_002457

KBio2_005025

KBio2_007593

KBio3_002707

KBioGR_000812

KBioSS_002464

Lotensin

LS-190292

LS-27973

MFCD00864466

MFCD00895734

MFCD12964165

NCGC00165740-01

NCGC00165740-02

SPBio_000343

Spectrum2_000482

Spectrum3_001674

Spectrum4_000286

Spectrum5_001546

Spectrum_001922

STK627447

TERT BUTYL-3-(3S) AMINO-2,3,4,5-TETRAHYDRO-1H(1) BENZAZEPIN-2-ONE-1-ACETATE

TWT-8154

UNII-UDM7Q7QWP8

USAN

USAN)

[(3S)-3-({(1S)-1-[(ethyloxy)carbonyl]-3-phenylpropyl}amino)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid

[(3S)-3-{[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid

[(3S)-3-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 12.39 -54.8 1 7 -1 99 423.489 10 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.05e-02 g/l DrugBank-approved
MP 183 TCI
Therapy ACE inhibitor, antihypertensive SMDC Iconix
mechanism Angiotensin-converting enzyme inhibitor IBScreen Bioactives
Indications antihypertensive KeyOrganics Bioactives
biological_use Antihypertensive agent IBScreen Bioactives
Patent Database Links EP0795327; EP1491541; EP1514543; EP1559424; EP1611886; EP1671632; EP1674099; EP1723962; EP1746099; EP1776954; EP1790353; EP1797885; EP1832576; EP1862181; EP1864671; EP1889847; EP1894567; EP1908469; EP1930000; EP1939188; EP1990049; US2003036558; US20042541 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01060b; 1 hydrogen chloride NIH Clinical Collection via PubChem
Target RAAS Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01060b; SALT: 1 hydrogen chloride NIH Clinical Collection via PubChem
PUBCHEM_PATENT_ID US4743584 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACE-1-E Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_RAT P47820 Angiotensin-converting Enzyme, Rat 1.7 0.40 Binding ≤ 1μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 1.7 0.40 Binding ≤ 1μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 1.7 0.40 Binding ≤ 10μM
ACE_RAT P47820 Angiotensin-converting Enzyme, Rat 1.7 0.40 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

Analogs ( Draw Identity 99% 90% 80% 70% )