Bioactive Compound Details

BioIDbio3031
NameADOMEGLIVANT
ChEMBL IDCHEMBL3707351
Molecular FormulaC32H36F3NO4
Molecular Weight555.64
Molecular Weight (Monoisotopic)555.2596
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsADOMEGLIVANT|ADOMEGLIVANT, (-)-|LY-2409021|LY2409021
SmilesCc1cc(O[C@@H](CCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1
InchiInChI=1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m0/s1
Inchi KeyFASLTMSUPQDLIB-MHZLTWQESA-N
Molecular SpeciesACID
Targets6.0
Bioactivities18.0
Np Likeness Score-0.52
Records Key['ADOMEGLIVANT', 'ADOMEGLIVANT', 'ADOMEGLIVANT', 'LY-2409021', 'ADOMEGLIVANT', 'COVC-1761604319', '109; LY2409021', 'EOS100268']
Records Name['ADOMEGLIVANT', 'ADOMEGLIVANT', 'ADOMEGLIVANT', (S)-3-(4-(1-(4'-tert-butyl-2,6-dimethylbiphenyl-4-yloxy)-4,4,4-trifluorobutyl)benzamido)propanoic acid", 'ADOMEGLIVANT', 'ADOMEGLIVANT', "(S)-3-(4-(1-((4'-(tert-butyl)-2,6-dimethyl-[1,1'-biphenyl]-4-yl)oxy)-4,4,4-trifluorobutyl)benzamido)propanoic acid", 'ADOMEGLIVANT']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure