Bioactive Compound Details

BioIDbio2341
NameENGLITAZONE SODIUM
ChEMBL IDCHEMBL3989578
Molecular FormulaC20H18NNaO3S
Molecular Weight375.43
Molecular Weight (Monoisotopic)353.1086
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCP-72,467-2|CP-72467-2|ENGLITAZONE SODIUM
SmilesO=C1[N-]C(=O)C(Cc2ccc3c(c2)CC[C@H](Cc2ccccc2)O3)S1.[Na+]
InchiInChI=1S/C20H19NO3S.Na/c22-19-18(25-20(23)21-19)12-14-6-9-17-15(10-14)7-8-16(24-17)11-13-4-2-1-3-5-13;/h1-6,9-10,16,18H,7-8,11-12H2,(H,21,22,23);/q;+1/p-1/t16-,18?;/m1./s1
Inchi KeyJQWYNJRCVYGLMO-GPPXSFHXSA-M
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score0.16
Records Key['ENGLITAZONE SODIUM']
Records Name['ENGLITAZONE SODIUM']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure