Bioactive Compound Details

BioIDbio2173
NameCIGLITAZONE
ChEMBL IDCHEMBL7002
Molecular FormulaC18H23NO3S
Molecular Weight333.45
Molecular Weight (Monoisotopic)333.1399
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsADD-3878|CIGLITAZONA|CIGLITAZONE|U-63,287|U-63287
SmilesCC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1
InchiInChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21)
Inchi KeyYZFWTZACSRHJQD-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets158.0
Bioactivities420.0
Np Likeness Score0.29
Records Key['ciglitazone', 'Ciglitazone', 'Ciglitazone', '3', '1', '1', 'Ciglitazone', 'Ciglitazone', 'Ciglitazone', 'Ciglitazone', 'Ciglitazone', 'CIGLITAZONE', 'Ciglitazone', '20', 'ciglitazone', '1', '2', 'ciglitazone', '7', '1', 'ciglitazone', 'ciglitazone', 'SID26752161', 'ciglitazone', 'Cig', 'Ciglitazone', 'Ciglitazone', 'Ciglitazone', 'Ciglitazone', 'CG', 'Ciglitizone', '1, Ciglitazone', 'Ciglitizone', 'SID170466553', 'Ciglitazone', 'SID144205673', 'ciglitazone', 'ciglitazone', 'cigalitazone', 'CIGLITAZONE', '1', 'Ciglitazone', 'Ciglitazone', 'Ciglitazone', 'Ciglitazone', 'SID26752160', 'SID26752162', 'SID26757865', 'Ciglitizone', '25; NL-22', 'ciglitazone', '27', 'COVC-2825641305', 'Ciglitazone', 'ciglitazone', '176231099']
Records Name['5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione (ciglitazone)', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione (ciglitazone)', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione (ciglitazone)', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione', 'Ciglitazone', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione', 'CIGLITAZONE', 'Ciglitazone', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione (Ciglitazone)', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione (Ciglitazone)', 'Ciglitazone', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione', 'ciglitazone', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione (ciglitazone)', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione (ciglitazone)', 'ciglitazone', 'SID26752161', 'ciglitazone', 'Ciglitazone', 'Ciglitazone', 'Ciglitazone', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione (Ciglitazone)', 'Ciglitazone', 'Ciglitizone', '5-{4-[(1-methylcyclohexyl)methoxy]benzyl}thiazolidine-2,4-dione', 'Ciglitizone', 'SID170466553', 'Ciglitazone', 'SID144205673', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazolidine-2,4-dione', 'Ciglitazone', 'Ciglitazone', 'Ciglitazone', 'Ciglitazone', 'Ciglitazone', 'Ciglitazone', 'SID26752160', 'SID26752162', 'SID26757865', 'Ciglitizone', 'Ciglitazone', 'ciglitazone', 'Ciglitazone', 'CIGLITAZONE', 'Ciglitazone', 'ciglitazone', None]
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure