Bioactive Compound Details

BioIDbio2726
NameDRINABANT
ChEMBL IDCHEMBL3545166
Molecular FormulaC23H20Cl2F2N2O2S
Molecular Weight497.39
Molecular Weight (Monoisotopic)496.0591
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAVE1625|DRINABANT|Drinabant
SmilesCS(=O)(=O)N(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InchiInChI=1S/C23H20Cl2F2N2O2S/c1-32(30,31)29(21-11-19(26)10-20(27)12-21)22-13-28(14-22)23(15-2-6-17(24)7-3-15)16-4-8-18(25)9-5-16/h2-12,22-23H,13-14H2,1H3
Inchi KeyIQQBRKLVEALROM-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.05
Records Key['DRINABANT']
Records Name['DRINABANT']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure