Bioactive Compound Details

BioIDbio3087
NameCANDESARTAN CILEXETIL
ChEMBL IDCHEMBL1014
Molecular FormulaC33H34N6O6
Molecular Weight610.67
Molecular Weight (Monoisotopic)610.254
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAMIAS|ATACAND|CANDESARTAN 1-(((CYCLOHEXYLOXY)CARBONYL)OXY)ETHYL ESTER|CANDESARTAN CILEXETIL|NSC-758697|RATACAND|TCV-116
SmilesCCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InchiInChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)
Inchi KeyGHOSNRCGJFBJIB-UHFFFAOYSA-N
Molecular SpeciesACID
Targets144.0
Bioactivities285.0
Np Likeness Score-0.61
Records Key['10s', 'TCV-116', 'TCV-116', 'Candesartan cilexetil', 'Candesartan cilexetil', 'Candesartan cilexetil', 'CANDESARTAN CILEXETIL', '103, TCV-116', '1', 'SID144212519', 'candesartancilexetil', 'SID26748952', 'CANDESARTAN CILEXTIL', 'Candesartan cilexetil', 'Candesartan cilexetil', '4', 'CANDESARTAN CILEXETIL', 'CANDESARTAN CILEXTIL', 'CANDESARTAN CILEXTIL', 'CANDESARTAN CILEXETIL', 'CANDESARTAN CILEXTIL', '1; CDC, MT04D0301', 'Candesartan cilexetil脢', 'CANDESARTAN CILEXETIL', 'CANDESARTAN CILEXETIL', 'Candesartan cilexetil脗', 'CANDESARTAN CILEXETIL', 'Candesartancilexetil', 'Candesartan-cx', 'CANDESARTAN CILEXTIL', '1; CDC', 'EOS101797', 'candesartan cilexetil']
Records Name[2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid 1-cyclohexyloxycarbonyloxy-ethyl ester", "2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid 1-cyclohexyloxycarbonyloxy-ethyl ester", "2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid 1-cyclohexyloxycarbonyloxy-ethyl ester", "2-Ethoxy-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid 1-cyclohexyloxycarbonyloxy-ethyl ester", 'Candesartan cilexetil', 'Candesartan cilexetil', 'CANDESARTAN CILEXETIL', 'Candensartan cilexetil', 'Candesartan cilexetil', 'SID144212519', 'candesartancilexetil', 'SID26748952', 'CANDESARTAN CILEXTIL', 'Candesartan cilexetil', 'Candesartan cilexetil', 'Candesartan cilexetil', 'CANDESARTAN CILEXETIL', 'CANDESARTAN CILEXTIL', 'CANDESARTAN CILEXTIL', 'CANDESARTAN CILEXETIL', 'CANDESARTAN CILEXTIL', 'Candesartan cilexetil', 'Candesartan cilexetil脢', 'CANDESARTAN CILEXETIL', 'CANDESARTAN CILEXETIL', 'Candesartan cilexetil脗', 'CANDESARTAN CILEXETIL', 'Candesartancilexetil', 'Candesartan-cx', 'CANDESARTAN CILEXTIL', 'Candesartan cilexetic', 'CANDESARTAN CILEXETIL', 'candesartan cilexetil']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure