General Information of the Compound
Compound ID
CP0114119
Compound Name
2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid(CV-11974)
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Synonyms
Blopress
1-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylic acid
139481-59-7
2-(ethyloxy)-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid
2-Ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylic acid
2-Ethoxy-3-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl] methyl]-3H-benzoimidazole-4-carboxylic acid
2-ethoxy-1-({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl)-1H-benzimidazole-7-carboxylic acid
2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid
2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4ethyl}-1H-benzimidazole-7-carboxylic acid
2-ethoxy-3-[[4-[2-(1h-tetrazol-5-yl)phenyl]phenyl]methyl]-3h-benzoimidazole-4-carboxylic acid
2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
2-ethoxy-7-carboxy-1-(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methylbenzimidazole
AK-57139
Amias (TN)
Atacand (TN)
Atacand, Blopress, Amias, Ratacand,Candesartan
Blopress
Blopress (TN)
C24H20N6O3
CHEBI:3347
CHEMBL1016
CV 11974
CV-11974
CV11974
Candesartan
Candesartan (USAN/INN)
Candesartan [BAN]
Candesartan [USAN:INN]
KS-5003
NCGC00167474-01
Ratacand
Ratacand (TN)
S8Q36MD2XX
UNII-S8Q36MD2XX
[3H]candesartan
candesartan
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Structure
Formula
C24H20N6O3
Molecular Weight
440.463
Canonical SMILES
CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
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InChI
InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
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InChIKey
HTQMVQVXFRQIKW-UHFFFAOYSA-N
CAS
139481-59-7
Physicochemical Property
logP
4.0286
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
118.81
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
33

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 2541
SID: 81080491
ChEMBL ID
CHEMBL1016
DrugBank ID
DB13919
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00905, Cytochrome P450 2C9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 3000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00986, Cytochrome P450 3A4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 9000 nM
   TI
   LI
   LO
   TS
Protein ID: PT05756, Leukotriene B4 receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 15000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01197, Type-1 angiotensin II receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 10.4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 110 nM
Clinical Information about the Compound
Drug 1 ( Candesartan )
Drug Name Candesartan
Company AstraZeneca
Indication
Hypertension
Approved
Target(s)
Angiotensin II receptor type-1 (AGTR1)
Antagonist