UCSF

ZINC53070713

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 27 No

Popular Name: ENALAPRIL MALEATE ENALAPRIL MALEATE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 75847-73-3 , 76095-16-4 , 76095-16-4, 75847-73-3 [e , 76095-16-4, 75847-73-3 [enalapril] , 76420-75-2 , [75847-73-3] , [76095-16-4]

Other Names:

(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid

(S)-1-(N-(1-(Ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-L-proline maleate (1:1); 1-(N-((S)-1-Carboxy-3-phenylpropyl)-L-alanyl)-L-proline 1'-ethyl ester, maleate (1:1); A-Rin; Acetensil; Alphrin; Amprace; Analept; Atens; BQL; Baripril; Benalapril; Benalipri

(S)-1-(N-(1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-L-proline maleate (1:1); N-((S)-1-ethoxycarbonyl-3-phenylpropyl)-L-alanyl-L-proline maleate (1:1); N-{N-[(S)-1-ethoxycarbonyl-3-phenylpropyl]-L-alanyl}-L-proline hydrogen maleate; enalapril hydrogen m

(S)-1-(N-(1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-L-proline; 1-(N-((S)-1-carboxy-3-phenylpropyl)-L-alanyl)-L-proline 1'-ethyl ester; Enalapril

(S)-N-[1-(Ethoxycarbonyl)-3-phenylpropyl]-Ala-Pro maleate salt

pril

697

75847-73-3; C06977; Enalapril

75847-73-3; D07892; Enalapril (INN); Enalapril (TN)

76095-16-4; D00621; Enalapril maleate (JP16/USP); Renivace (TN); Vasotec (TN)

76095-16-4; Enalapril maleate; Prestwick_197

analapril; enalapril; enalaprila; enalaprilum

Baripril

Benalapril

Bonuten

C20H28N2O5.C18H19Cl2NO4.C4H4O4; ENALAPRIL MALEATE; FELODIPINE; LEXXEL; LS-178570

CHEBI:116847

Crinoren

Dabonal

Ditensor

Ednit

Enalapril

Enalapril (BAN

Enalapril Maleate

Enalapril maleate (Vasotec)

Enalapril maleate salt

Enalapril Maleate;Enalaprila [INN-Spanish];Enalaprilat;Enalaprilum [INN-Latin]

Enalaprila [INN-Spanish]

Enalaprilat

Enalaprilum [INN-Latin]

Enapren

Gadopril

Glioten, Renitec

INN); Enalapril Maleate (FDA

Innovace

Innovace Melt

JAN

Kinfil

L-Proline, N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-

LS-190651

MFCD00133304

MFCD00865774

MK-421

Naprilene

OR-1602

Renitec

Renivace

USAN

USAN)

USP

USP)

Vasotec

Vasotec IV

Xanef

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

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.123 Bitter DB
ALOGPS_SOLUBILITY 2.13e-01 g/l DrugBank-approved
Therapy ACE inhibitor, antihypertensive SMDC Iconix
Indications antihypertensive KeyOrganics Bioactives
PUBCHEM_PATENT_ID EP0083032A2; US4425337; US4440740; US4464363; US4510322 IBM Patent Data
Target Opioid Receptor Selleck Chemicals

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 140 0.36 Binding ≤ 10μM
ACE2-1-E Angiotensin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_RAT P47820 Angiotensin-converting Enzyme, Rat 140 0.36 Binding ≤ 1μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 1.2 0.46 Binding ≤ 1μM
ACE2_HUMAN Q9BYF1 Angiotensin-converting Enzyme 2, Human 1.2 0.46 Binding ≤ 1μM
ACE_RAT P47820 Angiotensin-converting Enzyme, Rat 140 0.36 Binding ≤ 10μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 1.2 0.46 Binding ≤ 10μM
ACE2_HUMAN Q9BYF1 Angiotensin-converting Enzyme 2, Human 1.2 0.46 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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

No pre-computed analogs available. Try a structural similarity search.