General Information of the Compound
Compound ID
CP0071410
Compound Name
Benicar
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Synonyms
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
(5-methyl-2-oxo-1,3-dioxolen-4-yl)methoxy-4-(1-hydroxy-1-methylethyl)-2-propyl-1-(4-(2-(tetrazol-5-yl)phenyl)phenyl)methylimidazol-5-carboxylate
1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-(1H-tetrazol-5-yl) (1,1'-biphenyl)-4-yl)methyl)-, (5-methyl-2-oxo-1,3-dioxol-4-yl) methyl ester
1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester
1H-imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-,(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester
Benevas
Benicar
Benicar (TN)
Benicar, Olmetec,Olmesartan
Berlin-Chemie Brand of Olmesartan Medoxomil
CS-866
CS-866DM
CS-866RN
Cs 866
DE-092
Forest Brand of Olmesartan Medoxomil
KS-1182
Olmesartan medoximil
Olmesartan medoxomil
Olmesartan medoxomil (JAN/USAN)
Olmetec
Olmetec (TN)
Olvance
Sankyo Brand of Olmesartan Medoxomil
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Structure
Formula
C29H30N6O6
Molecular Weight
558.595
Canonical SMILES
CCCc1nc(c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)O
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InChI
InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
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InChIKey
UQGKUQLKSCSZGY-UHFFFAOYSA-N
CAS
144689-63-4
Physicochemical Property
logP
4.17002
Rotatable Bonds
10
Heavy Atom Count
41
Polar Areas
162.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
11
Complexity
41

"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: 130881
SID: 14935211
ChEMBL ID
CHEMBL1200692
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: 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 = 2000 nM
   TI
   LI
   LO
   TS
Protein ID: PT05334, ATP-binding cassette sub-family C member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 28500 nM
   TI
   LI
   LO
   TS
Protein ID: PT04542, Bile salt export pump
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 4730 nM
   TI
   LI
   LO
   TS
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 977.24 nM
   TI
   LI
   LO
   TS
2
Ki = 540 nM
   TI
   LI
   LO
   TS
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 977.24 nM
   TI
   LI
   LO
   TS
2
Ki = 750 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Olmesartan medoxomil )
Drug Name Olmesartan medoxomil
Indication
High blood pressure
Approved
Target(s)
Angiotensin II receptor type-1 (AGTR1)
Antagonist