Bioactive Compound Details

BioIDbio1983
NameLINZAGOLIX
ChEMBL IDCHEMBL3668014
Molecular FormulaC22H15F3N2O7S
Molecular Weight508.43
Molecular Weight (Monoisotopic)508.0552
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsKLH-2109|LINZAGOLIX|OBE-2109|OBE2109
SmilesCOc1cc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)cc1OCc1c(OC)ccc(F)c1F
InchiInChI=1S/C22H15F3N2O7S/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30)
Inchi KeyBMAAMIIYNNPHAB-UHFFFAOYSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score-1.0
Records Key['LINZAGOLIX', 'BDBM160329', 'LINZAGOLIX', 'LINZAGOLIX']
Records Name['LINZAGOLIX', 'US9040693, 233', 'LINZAGOLIX', 'LINZAGOLIX']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure