Bioactive Compound Details

BioIDbio3070
NameLERIGLITAZONE HYDROCHLORIDE
ChEMBL IDCHEMBL4298170
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91
Molecular Weight (Monoisotopic)372.1144
TypeSmall molecule
Max PhasePhase 1
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsHYDROXYPIOGLITAZONE HYDROCHLORIDE|LERIGLITAZONE HYDROCHLORIDE|MIN-102 HCl
SmilesCC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl
InchiInChI=1S/C19H20N2O4S.ClH/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);1H
Inchi KeySBHOQYCDAHAMDW-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-0.25
Records Key['LERIGLITAZONE HYDROCHLORIDE']
Records Name['LERIGLITAZONE HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure