Bioactive Compound Details

BioIDbio3260
NameLERIGLITAZONE
ChEMBL IDCHEMBL1267
Molecular FormulaC19H20N2O4S
Molecular Weight372.45
Molecular Weight (Monoisotopic)372.1144
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsHYDROXYPIOGLITAZONE|LERIGLITAZONA|LERIGLITAZONE|MIN-102
SmilesCC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
InchiInChI=1S/C19H20N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11-12,17,22H,8-10H2,1H3,(H,21,23,24)
Inchi KeyOXVFDZYQLGRLCD-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities10.0
Np Likeness Score-0.25
Records Key['6', 'LERIGLITAZONE', 'PioOH', 'LERIGLITAZONE']
Records Name['5-(4-{2-[5-(1-Hydroxy-ethyl)-pyridin-2-yl]-ethoxy}-benzyl)-thiazolidine-2,4-dione', 'LERIGLITAZONE', '1-hydroxypioglitazone', 'LERIGLITAZONE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure