General Information of the Compound
Compound ID
CP0102316
Compound Name
(E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid
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Synonyms
(4-carboxybenzyl)imidazole-5-acrylic acid
(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)-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-imidazole-5-yl]methylene}-2-thiopheneproprionic acid
133040-01-4
2KH13Z0S0Y
4-({2-butyl-5-[(1E)-2-carboxy-3-(2-thienyl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid
4-({2-butyl-5-[(1E)-2-carboxy-3-(thiophen-2-yl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid
4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid
CHEBI:4814
CHEMBL813
Eprosartan
Eprosartan (USAN/INN)
Eprosartan [USAN:BAN:INN]
F 108566
F-108566
SK&F 108566
SK&F-108566
SK-108566
SKF-108566
Teveten
Teveten (TN)
UNII-2KH13Z0S0Y
[3H]eprosartan
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Structure
Formula
C23H24N2O4S
Molecular Weight
424.522
Canonical SMILES
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
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InChI
InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
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InChIKey
OROAFUQRIXKEMV-LDADJPATSA-N
CAS
133040-01-4
Physicochemical Property
logP
4.7444
Rotatable Bonds
10
Heavy Atom Count
30
Polar Areas
92.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 5281037
SID: 14929623
ChEMBL ID
CHEMBL813
DrugBank ID
DB00876
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: PT03217, ATP-binding cassette sub-family C member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 57900 nM
   TI
   LI
   LO
   TS
Protein ID: PT03222, ATP-binding cassette sub-family C member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 6650 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Eprosartan )
Drug Name Eprosartan
Company Abbott Laboratories
Indication
Hypertension
Approved
Target(s)
Angiotensin II receptor type-1 (AGTR1)
Antagonist