UCSF

ZINC04097427

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 45 No

Popular Name: Candesartan cilexetil Candesartan cilexetil

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CAS Numbers: 139481-59-7 , 145040-37-5 , [145040-37-5]

Other Names:

(+-)-1-Hydroxyethyl 2-ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylate, cyclohexyl carbonate (ester)

(+-)-1-Hydroxyethyl 2-ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylate, cyclohexyl carbonate (ester); 1-(cyclohexylocarbonyloxy)ethyl-2-ethoxy-1-(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)-1H-benzimidazole-7-carboxylate; 1-{[(cyclohexylox

sartan

1-(cyclohexylocarbonyloxy)ethyl-2-ethoxy-1-(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)-1H-benzimidazole-7-carboxylate

1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 2-(ethyloxy)-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylate

145040-37-5

145040-37-5; Atacand (TN); Candesartan cilexetil (JP16/USAN); D00626

145040-37-5; C07709; Candesartan cilexetil

1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, 1-(((cyclohexyloxy)carbonyl)oxy)ethyl ester, ( -)-

1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, 1-(((cyclohexyloxy)carbonyl)oxy)ethyl ester, (+-)-

1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester

1H-Benzimidazolium, 7-carboxy-1-(2-((cyclohexylcarbonyl)oxy)ethyl)-2-ethoxy-1-(2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)-, hydroxide, inner salt, (+-)-

2-Ethoxy-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-benzimidazole-7-carboxylic acid

2-ethoxy-3-[2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-benzoimidazole-4-carboxylic acid 1-cyclohe

2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid 1-cyclohexyloxycarbonyloxy-ethyl ester

AC-204

AC1L1DWQ

Almirall brand of candesartan cilexetil

Amias

Astra brand of candesartan cilexetil

AstraZeneca brand of candesartan cilexetil

Atacand

Atacand (TN)

ATACAND HCT

ATACAND HCT; C33H34N6O6.C7H8ClN3O4S2; CANDESARTAN CILEXETIL; HYDROCHLOROTHIAZIDE; LS-178477

Blopress

BRD-A65671304-001-02-6

BSPBio_002691

C07709

C077793

C33H34N6O6

Candesartan (BAN); Candesartan cilexetil (FDA

Candesartan (BAN); Candesartan Cilexetil (USAN

Candesartan Cilexetil

Candesartan Cilexetil (FDA

Candesartan cilexetil (JAN/USAN)

Candesartan cilexetil [USAN]

candesartan cilexitil

candesartan cilextil

Candesartan hexetil

CHEBI:216349

CHEMBL1014

CID2540

D00626

DAP001442

FDA)

FT-0082579

H212/91

HMS1922J09

HMS2093E20

I06-0090

KBio2_002187

KBio2_004755

KBio2_007323

KBio3_001911

KBioGR_001607

KBioSS_002187

Kenzen

L006257

LS-32741

MFCD00871371

MolPort-003-666-552

NCGC00095123-01

NCGC00095123-02

NCGC00095123-03

Parapres

Promed brand of candesartan cilexetil

Racanda

Ratacand

SPBio_000349

SPECTRUM1504261

Spectrum2_000485

Spectrum3_000996

Spectrum4_001124

Spectrum5_001462

Spectrum_001707

ST51052687

Takeda brand of candesartan cilexetil

TCV 116

TCV-116

TL8000995

UNII-R85M2X0D68

USAN)

USAN); Candesartan (BAN)

Download: MOL2 SDF SMILES Flexibase

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) 6.89 1.92 -53.36 0 12 -1 141 609.663 13 ↓

Vendor Notes

Note Type Comments Provided By
Therapy angiotensin 1 receptor antagonist SMDC MicroSource
Indications antihypertensive KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTR1-1-E Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTR1_RABIT P34976 Angiotensin II Type 1a (AT-1a) Receptor, Rabit 200 0.21 Functional ≤ 10μM

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