UCSF

ZINC29319828

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 30 No

Popular Name: Eprosartan Eprosartan

Find On: PubMed — Wikipedia — Google

CAS Numbers: 133040-01-4 , 144143-96-4 , 7646-69-7 , [144143-96-4]

Other Names:

(E)-2-Butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid, monomethanesulfonate

(E)-2-Butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid, monomethanesulfonate; (E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thienylimidazole-5-acrylic acid monomethanesulfonate; 2-Thiophenepropanoic acid, alpha-((2-butyl-1-((4-carboxyphenyl)meth

(E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid, monomethanesulfonate; (E)-alpha-((2-butyl-1-((4-carboxyphenyl)methyl)-1H-imidazol-5-yl)methylene)-2-thiophenepropanoic acid monomethanesulfonate; eprosartan mesylate

(E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid; (E)-3-[2-n-butyl-1-{(4-carboxyphenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid; (E)-alpha{[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazole-5-yl]methylene}-2-thio

(E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thienylimidazole-5-acrylic acid monomethanesulfonate

(E)-4-((2-Butyl-5-(2-carboxy-3-(thiophen-2-yl)prop-1-en-1-yl)-1H-imidazol-1-yl)methyl)benzoic acid

(E)-alpha-((2-butyl-1-((4-carboxyphenyl)methyl)-1H-imidazol-5-yl)methylene)-2-thiophenepropanoic acid monomethanesulfonate

sartan

133040-01-4; C07467; Eprosartan

133040-01-4; D04040; Eprosartan (USAN/INN)

144143-96-4

144143-96-4; D02082; Eprosartan mesylate (USAN); Teveten (TN)

2-Thiophenepropanoic acid, alpha-((2-butyl-1-((4-carboxyphenyl)methyl)-1H-imidazol-5-yl)methylene)-, (E)-, monomethanesulfonate

4-({2-butyl-5-[(1E)-2-carboxy-3-(2-thienyl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid methanesulfonate

4-[2-Butyl-5-((E)-2-carboxy-3-thiophen-2-yl-propenyl)-imidazol-1-ylmethyl]-benzoic acid

4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid

AC1NR04M

BAN

C23H24N2O4S.C7H8ClN3O4S2.CH4O3S; EPROSARTAN MESYLATE; HYDROCHLOROTHIAZIDE; LS-178665; TEVETEN HCT

C23H24N2O4S.CH4O3S

CHEBI:48409

CHEMBL1200987

CID5282474

D02082

DAP001367

Epro-sartan mesylate dihydrate

Eprosartan (BAN

Eprosartan mesilate

Eprosartan Mesylate

Eprosartan mesylate (USAN)

Eprosartan mesylate dihydrate

Eprosartan mesylate [USAN:BAN]

eprosartan methanesulfonate

FDA

Futuran

INN

LS-173203

LS-190099

methanesulfonic acid

MFCD00897872

MFCD08141807

N/A

Navixen

Regulaten

SK&F 108566-J

SK&F-108566

SK&F-108566-J

SK&F-108566; SK-108566; SK&F-108566J; SK&F-108566-J

SK-108566

Sodium hydride

Teveten

Teveten (TN)

Teveten SB

Tevetenz

UNII-8N2L1NX8S3

USAN)

USAN); Eprosartan Mesylate (BAN

USAN); Eprosartan Mesylate (FDA

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) 4.89 13.17 -110.32 1 6 -1 99 423.514 10 ↓
Mid Mid (pH 6-8) 4.89 12.91 -114.55 0 6 -2 98 422.506 10 ↓

Vendor Notes

Note Type Comments Provided By
biological_use Antihypertensive agent ZereneX Building Blocks
ALOGPS_SOLUBILITY 8.66e-03 g/l DrugBank-approved
Purity 95% Fluorochem
mechanism Angiotensin II AT 1 -receptor antagonist IBScreen Bioactives
Indications Antihypertensive KeyOrganics Bioactives
biological_use Antihypertensive agent IBScreen Bioactives
Patent Database Links EP1197226; EP1329218; EP1356815; EP1559424; EP1579862; EP1579872; EP1611886; EP1627638; EP1671632; EP1723962; EP1731169; EP1746099; EP1776954; EP1862181; EP1867342; EP1889847; EP1908469; EP1925303; EP1958949; EP1980249; EP1982711; EP1990049; US2002115655 ChEBI
Patent Database Links EP1629835; EP1787647; US2002115655; US2007037821; US2008275093; WO2005023183; WO2005030135; WO2005060603; WO2006055542; WO2006078995; WO2006093864; WO2006099058 ChEBI
Target Others Selleck Chemicals
Target RAAS Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTR1-1-E Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 7 0.38 Binding ≤ 10μM
AGTR2-1-E Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 363 0.30 Binding ≤ 10μM
AGTRA-1-E Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.38 Binding ≤ 10μM
AGTRB-1-E Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTR1_HUMAN P30556 Angiotensin II Type 1 Receptor, Human 2 0.41 Binding ≤ 1μM
AGTRA_RAT P25095 Angiotensin II Type 1a (AT-1a) Receptor, Rat 1 0.42 Binding ≤ 1μM
AGTRB_RAT P29089 Angiotensin II Type 1b (AT-1b) Receptor, Rat 1 0.42 Binding ≤ 1μM
AGTR2_RAT P35351 Angiotensin II Type 2 (AT-2) Receptor, Rat 1 0.42 Binding ≤ 1μM
AGTR1_HUMAN P30556 Angiotensin II Type 1 Receptor, Human 2 0.41 Binding ≤ 10μM
AGTRA_RAT P25095 Angiotensin II Type 1a (AT-1a) Receptor, Rat 1 0.42 Binding ≤ 10μM
AGTRB_RAT P29089 Angiotensin II Type 1b (AT-1b) Receptor, Rat 1 0.42 Binding ≤ 10μM
AGTR2_RAT P35351 Angiotensin II Type 2 (AT-2) Receptor, Rat 1 0.42 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G alpha (q) signalling events
Peptide ligand-binding receptors

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