Bioactive Compound Details

BioIDbio3110
NameTROGLITAZONE
ChEMBL IDCHEMBL408
Molecular FormulaC24H27NO5S
Molecular Weight441.55
Molecular Weight (Monoisotopic)441.161
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCI-991|CS-045|GR-92132X|GR92132X|PRELAY|REZULIN|ROMOZIN|Rezulin|TROGLITAZONA|TROGLITAZONE
SmilesCc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
InchiInChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)
Inchi KeyGXPHKUHSUJUWKP-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets240.0
Bioactivities1060.0
Np Likeness Score1.04
Records Key['Troglitazone', 'CS-045', 'TGZ', 'Troglitazone', 'Troglitazone', 'troglitazone', 'Troglitazone', 'troglitazone', 'Troglitazone', 'Troglitazone', 'Troglitazone', '2, troglitazone', 'Troglitazone', 'troglitazone', 'TROGLITAZONE', 'Troglitazone', 'Troglitazone', 'Troglitazone', 'Troglitazone', 'Troglitazone', '5b', 'Troglitazone', 'troglitazone', 'CS-045', 'troglitazone', 'troglitazone', '27', 'Troglitazone', 'Troglitazone', 'Troglitazone', 'TROGLITAZONE', 'Troglitazone', 'Triglitazone', 'Troglitazone', 'SID144205672', 'Troglitazone', 'Troglitazone', '4', 'Troglitazone', 'Troglitazone', 'troglitazone', '3', '3', 'SID26755242', 'Troglitazone', 'SID29216382', 'troglitazone', 'troglitazone', 'Troglitazone', 'troglitazone', 'troglitazone', 'TGZ', 'Troglitazone', 'Troglitazone', '1a, Tro', '8', 'Troglitazone', 'Troglitazone', 'Troglitazone', 'troglitazone', 'Troglitazone', 'SID137275811', 'TROGLITAZONE', 'Troglitazone', 'SID26757864', 'troglitazone', 'Troglitazone', 'SID170465091', 'Troglitazone', 'Troglitazone', 'Troglitazone', 'Troglitazone', 'Troglitazone', 'TGZ', 'SID174007238', 'Troglitazone', 'Troglitazone', 'Troglitazone', 'TG', 'Troglitazone', 'Troglitazone', 'Troglitazone', '26, troglitazone', 'troglitazone', 'Troglitazone', '4', 'troglitazone', 'TROGLITAZONE', 'Troglitazone', 'TROGLITAZONE', 'TROGLITAZONE', 'Troglitazone', 'TGZ', 'Troglitazone', '986', 'COVC-2286519831', 'Troglitazone', 'DNDI1837020', 'TROGLITAZONE', 'Troglitazone', 'Troglitazone', 'SID144210788', 'Troglitazone', 'TROGLITAZONE', 'Troglitazone', 'troglitazone', 'Troglitazone', 'Tgz', 'Troglitazone', 'troglitazone', 'SID26755243', 'TROGLITAZONE', 'Troglitazone', 'Troglitazone', 'Troglitazone', 'TROGLITAZONE', 'Troglitazone', 'Troglitazone', 'troglitazone', 'Troglitazone', 'Troglitazone', 'Troglitazone', 'TGZ', 'Troglitazone', 'Tro', 'Troglitazone', '30', 'Troglitazone', '56', 'Tro', '26', 'troglitazone', 'troglitazone', '23', 'BA1001159']
Records Name['Troglitazone', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', 'Troglitazone', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', 'troglitazone', 'Troglitazone', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzy l]-thiazolidine-2,4-dione', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', 'Troglitazone', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-1,2,3,4-tetrahydro-naphthalen-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', 'TROGLITAZONE', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', 'Troglitazone', 'Troglitazone', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(-6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', 'troglitazone', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzy l]-thiazolidine-2,4-dione', 'troglitazone', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', 'Troglitazone', 'Troglitazone', 'Troglitazone', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', 'Troglitazone', 'SID144205672', 'Troglitazone', 'Troglitazone', 'Troglitazone', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dioneTroglitazone', 'Troglitazone', 'troglitazone', 'Troglitazone', 'troglitazone', 'SID26755242', '5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione', 'SID29216382', 'troglitazone', '5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)methoxy)phenyl)methyl)thiazolidine-2,4-dione', '5-[4-(
Withdrawn FlagTrue
Orphan0

Molecular Structure

2D Molecular Structure