Bioactive Compound Details

BioIDbio3243
NameLOTIGLIPRON
ChEMBL IDCHEMBL5314631
Molecular FormulaC31H31ClN4O5
Molecular Weight575.07
Molecular Weight (Monoisotopic)574.1983
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsLOTIGLIPRON|PF-07081532
SmilesC[C@]1(c2ccc(Cl)cn2)Oc2cccc(C3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)c2O1
InchiInChI=1S/C31H31ClN4O5/c1-31(27-8-6-21(32)16-33-27)40-26-4-2-3-23(29(26)41-31)19-9-12-35(13-10-19)18-28-34-24-7-5-20(30(37)38)15-25(24)36(28)17-22-11-14-39-22/h2-8,15-16,19,22H,9-14,17-18H2,1H3,(H,37,38)/t22-,31-/m0/s1
Inchi KeySVPYZAJTWFQTSM-UGDMGKLASA-N
Molecular SpeciesACID
TargetsNone
BioactivitiesNone
Np Likeness Score-0.86
Records Key['LOTIGLIPRON', 'LOTIGLIPRON', 'LOTIGLIPRON']
Records Name['LOTIGLIPRON', 'LOTIGLIPRON', 'LOTIGLIPRON']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure