Bioactive Compound Details

BioIDbio2125
NameREGLITAZAR
ChEMBL IDCHEMBL293526
Molecular FormulaC22H20N2O5
Molecular Weight392.41
Molecular Weight (Monoisotopic)392.1372
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsJT-501|JTT-501|JTT-501.BETA.|REGLITAZAR|Reglitazar
SmilesCc1oc(-c2ccccc2)nc1CCOc1ccc(CC2C(=O)NOC2=O)cc1
InchiInChI=1S/C22H20N2O5/c1-14-19(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-18-20(25)24-29-22(18)26/h2-10,18H,11-13H2,1H3,(H,24,25)
Inchi KeyQBQLYIISSRXYKL-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets10.0
Bioactivities22.0
Np Likeness Score-0.64
Records Key['4', '52, JTT-501', '2 (JTT-501)', '2 (JTT-501)', 'JTT-501', 'REGLITAZAR', 'JTT-501', 'COVC-0142233877']
Records Name['4-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-isoxazolidine-3,5-dione', '4-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)isoxazolidine-3,5-dione', '4-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-isoxazolidine-3,5-dione', '4-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-isoxazolidine-3,5-dione', 'JTT-501', 'REGLITAZAR', '4-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-isoxazolidine-3,5-dione (JTT-501)', 'REGLITAZAR']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure