Bioactive Compound Details

BioIDbio3217
NameTESAGLITAZAR
ChEMBL IDCHEMBL282686
Molecular FormulaC20H24O7S
Molecular Weight408.47
Molecular Weight (Monoisotopic)408.1243
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAR-H-039242|AR-H039242XX|AZ-242|BR-44608|TESAGLITAZAR|Tesaglitazar
SmilesCCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
InchiInChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
Inchi KeyCXGTZJYQWSUFET-IBGZPJMESA-N
Molecular SpeciesACID
Targets31.0
Bioactivities129.0
Np Likeness Score-0.13
Records Key['3', '4', 'TESAGLITAZAR', 'Tesaglitazar', '343', 'tesaglitazar', 'TESAGLITAZAR', 'tesaglitazar', '7', '(S)-tesaglitazar', 'Tesaglitazar', 'Tesaglitazar', '3,tesaglitazar', 'E, tesaglitazar', 'Tesaglitazar', 'Tesaglitazar', 'Tesaglitazar', '4', 'tesaglitazar', '3b', 'tesaglitazar', 'COVC-0686355236', '(S)-2b', 'TESAGLITAZAR', 'tesaglitazar', 'Tesaglitazar', 'tesaglitazar', 'EUB0001144a', 'EUB0001144a']
Records Name['Tesaglitazar', '2-Ethoxy-3-{4-[2-(4-methanesulfonyloxy-phenyl)-ethoxy]-phenyl}-propionic acid', 'TESAGLITAZAR', 'Tesaglitazar', 'Tesaglitazar', 'tesaglitazar', 'TESAGLITAZAR', '(S)-3-(4-(4-(methylsulfonyloxy)phenethoxy)phenyl)-2-ethoxypropanoic acid', '(S)-2-Ethoxy-3-{4-[2-(4-methanesulfonyloxy-phenyl)-ethoxy]-phenyl}-propionic acid', '(S)-tesaglitazar', '(S)-3-(4-(4-(methylsulfonyloxy)phenethoxy)phenyl)-2-ethoxypropanoic acid', 'Tesaglitazar', '3-(4-(4-(methylsulfonyloxy)phenethoxy)phenyl)-2-ethoxypropanoic acid', '(S)-3-(4-(4-(methylsulfonyloxy)phenethoxy)phenyl)-2-ethoxypropanoic acid', 'Tesaglitazar', 'Tesaglitazar', 'Tesaglitazar', 'Tesaglitazar', 'tesaglitazar', 'Tesaglitazar', 'tesaglitazar', 'TESAGLITAZAR', 'Tesaglitazar', 'TESAGLITAZAR', '(S)-2-ethoxy-3-(4-(4-((methylsulfonyl)oxy)phenethoxy)phenyl)propanoic acid; Tesaglitazar', 'Tesaglitazar', 'tesaglitazar', 'Tesaglitazar', 'Tesaglitazar']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure