Bioactive Compound Details

BioIDbio2450
NameFLUMEXADOL
ChEMBL IDCHEMBL578767
Molecular FormulaC11H12F3NO
Molecular Weight231.22
Molecular Weight (Monoisotopic)231.0871
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsFLUMEXADOL
SmilesFC(F)(F)c1cccc(C2CNCCO2)c1
InchiInChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-2-8(6-9)10-7-15-4-5-16-10/h1-3,6,10,15H,4-5,7H2
Inchi KeyGXPYCYWPUGKQIJ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score-0.83
Records Key['Flumexadol', 'FLUMEXADOL', 'Flumexadol脢', 'Flumexadol脗']
Records Name['Flumexadol', 'FLUMEXADOL', 'Flumexadol脢', 'Flumexadol脗']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure