UCSF

ZINC53199330

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 31 No

Popular Name: Trandolapril Trandolapril

Find On: PubMed — Wikipedia — Google

CAS Numbers: 87679-37-6 , [87679-37-6]

Other Names:

(2S,3aR,7aS)-1-((S)-N-((S)-1-Carboxy-3-phenylpropyl)alanyl)hexahydro-2-indolinecarboxylic acid, 1-ethyl ester

(2S,3aR,7aS)-1-((S)-N-((S)-1-Carboxy-3-phenylpropyl)alanyl)hexahydro-2-indolinecarboxylic acid, 1-ethyl ester; 1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydro-1H-indol-2-carboxylic acid; 1H-Indole-2-carboxylic acid, 1-((2S)-2-((1-(et

(2S,3aR,7aS)-1-(N-((1S)-1-((Ethyloxy)carbonyl)-3-phenylpropyl)-L-alanyl)octahydro-1H-indole-2-carboxylic Acid

(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

(2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

pril

1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydro-1H-indol-2-carboxylic acid

1H-Indole-2-carboxylic acid, 1-((2S)-2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydro-, (2S,3aR,7aS)-

1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, (2S,3aR,7aS)-

1H-Indole-2-carboxylic acid, octahydro-1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-, (2S-(1(R*(R*)),2-alpha,3a-alpha,7a-beta))-

87679-37-6

87679-37-6; D00383; Mavik (TN); Trandolapril (JAN/INN)

AC1NUNSR

BAN

BIDD:GT0804

C24H34N2O5

CCRIS 6594

CHEMBL1519

CID5484727

D00383

DAP000583

DB00519

FDA

FT-0082544

Gopten

I06-1849

Indolapril (INN); Trandolapril (BAN

INN); Indolapril (INN); Indolapril Hydrochloride (USAN)

INN); Indolapril HCl (USAN)

LS-82763

Mavik

Mavik (TN)

MFCD00865776

NCGC00182079-03

Odric

Odrik

Preran

RU 44570

RU-44570

RU-44570; CI-907

RU44570

Trandolapril (FDA

Trandolapril (JAN/INN)

Trandolapril [INN:BAN]

Trandolaprilum

Trandolaprilum [Latin]

Udrik

UNII-1T0N3G9CRC

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
ALOGPS_SOLUBILITY 2.07e-02 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0256402A2; EP0265685A2; EP0265685B1; EP0322206A2; EP0322206B1; EP0344572A2; EP0344572B1; EP0351017A2; EP0351017B1; EP0401505A2; EP0468929B1; EP0488059A2; EP0488059B1; EP0508511A1; EP0508511B1; EP0576452A1; EP0576452B1; EP0629408A1; EP0649654A1; EP064965 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 1 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 0.93 0.41 Binding ≤ 1μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 0.93 0.41 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.