Bioactive Compound Details

BioIDbio1997
NameFARGLITAZAR
ChEMBL IDCHEMBL107367
Molecular FormulaC34H30N2O5
Molecular Weight546.62
Molecular Weight (Monoisotopic)546.2155
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsFARGLITAZAR|G1-262570|GI-262570|GI-262570X|GI262570|GI262570X|farglitazar
SmilesCc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1
InchiInChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
Inchi KeyZZCHHVUQYRMYLW-HKBQPEDESA-N
Molecular SpeciesACID
Targets12.0
Bioactivities78.0
Np Likeness Score-0.81
Records Key['20', 'FARGLITAZAR', 'Farglitazar', 'GI 262570', 'FARGLITAZAR', '2', '5', '12', 'GI 262570', 'SID144210538', 'Farglitazar', '20(S)', 'farg', '2', '2393', 'Farglitazar']
Records Name['(S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid', 'FARGLITAZAR', '(S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid', '2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid (GI 262570)', 'FARGLITAZAR', '(S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid', 'farglitazar', '(S)-2-(2-benzoylphenylamino)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)propanoic acid', '(S)-2-(2-benzoylphenylamino)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)propanoic acid', 'SID144210538', 'Farglitazar', 'Farglitazar', 'Farglitazar', '2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid', None, 'Farglitazar']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure