Bioactive Compound Details

BioIDbio2066
NameCHLORHEXADOL
ChEMBL IDCHEMBL2104116
Molecular FormulaC8H15Cl3O3
Molecular Weight265.56
Molecular Weight (Monoisotopic)264.0087
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCHLORALODOL|CHLORHEXADOL|CLORALODOL
SmilesCC(CC(C)(C)O)OC(O)C(Cl)(Cl)Cl
InchiInChI=1S/C8H15Cl3O3/c1-5(4-7(2,3)13)14-6(12)8(9,10)11/h5-6,12-13H,4H2,1-3H3
Inchi KeyQVFWZNCVPCJQOP-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score0.64
Records Key['CHLORHEXADOL', 'CHLORHEXADOL']
Records Name['CHLORHEXADOL', 'CHLORHEXADOL']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure