Bioactive Compound Details

BioIDbio1971
NameBALAGLITAZONE
ChEMBL IDCHEMBL2103991
Molecular FormulaC20H17N3O4S
Molecular Weight395.44
Molecular Weight (Monoisotopic)395.094
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBALAGLITAZONA|BALAGLITAZONE|Balaglitazone|DRF-2593|NN-2344
SmilesCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O
InchiInChI=1S/C20H17N3O4S/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16/h2-9,16H,10-11H2,1H3,(H,22,24,26)
Inchi KeyIETKPTYAGKZLKY-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities6.0
Np Likeness Score-0.82
Records Key['BALAGLITAZONE', 'BALAGLITAZONE', 'Balaglitazone', 'Balaglitazone', 'BALAGLITAZONE', 'Balaglitazone']
Records Name['BALAGLITAZONE', 'BALAGLITAZONE', 'Balaglitazone', 'Balaglitazone', 'BALAGLITAZONE', 'Balaglitazone']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure