Bioactive Compound Details

BioIDbio2947
NameDARIFENACIN HYDROBROMIDE
ChEMBL IDCHEMBL1200935
Molecular FormulaC28H31BrN2O2
Molecular Weight507.47
Molecular Weight (Monoisotopic)426.2307
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsDARIFENACIN HBR|DARIFENACIN HYDROBROMIDE|ENABLEX|Emselex|UK-88525-04 (HBR)|UK-88525-04 (HYDROBROMIDE)
SmilesBr.NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1
InchiInChI=1S/C28H30N2O2.BrH/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26;/h1-12,19,25H,13-18,20H2,(H2,29,31);1H/t25-;/m1./s1
Inchi KeyUQAVIASOPREUIT-VQIWEWKSSA-N
Molecular SpeciesBASE
Targets7.0
Bioactivities87.0
Np Likeness Score-0.56
Records Key['SID170465079', 'DARIFENACIN HYDROBROMIDE', 'DARIFENACIN HYDROBROMIDE', 'DARIFENACIN HYDROBROMIDE', 'Darifenacin hydrobromide', 'DARIFENACIN HYDROBROMIDE', 'SID144206189', 'DARIFENACIN HYDROBROMIDE', 'DARIFENACIN HYDROBROMIDE', 'DARIFENACIN HYDROBROMIDE', 'DARIFENACIN HYDROBROMIDE', 'DARIFENACIN HYDROBROMIDE', 'EOS101748', 'DARIFENACIN HYDROBROMIDE']
Records Name['SID170465079', 'DARIFENACIN HYDROBROMIDE', 'DARIFENACIN HYDROBROMIDE', 'DARIFENACIN HYDROBROMIDE', 'Darifenacin hydrobromide', 'DARIFENACIN HYDROBROMIDE', 'SID144206189', 'DARIFENACIN HYDROBROMIDE', 'DARIFENACIN HYDROBROMIDE', 'DARIFENACIN HYDROBROMIDE', 'DARIFENACIN HYDROBROMIDE', 'DARIFENACIN HYDROBROMIDE', 'Darifenacin (hydrobromide)', 'DARIFENACIN HYDROBROMIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure