Bioactive Compound Details

BioIDbio1949
NameSOLIFENACIN
ChEMBL IDCHEMBL1734
Molecular FormulaC23H26N2O2
Molecular Weight362.47
Molecular Weight (Monoisotopic)362.1994
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNSC-759144|SOLIFENACIN|SOLIFENACINA|SOLIFENACINE|Solifenacin|VESICARE
SmilesO=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1
InchiInChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
Inchi KeyFBOUYBDGKBSUES-VXKWHMMOSA-N
Molecular SpeciesBASE
Targets29.0
Bioactivities57.0
Np Likeness Score-0.06
Records Key['Solifenacin', '9b', 'SID50113280', 'Solifenacin', 'SOLIFENACIN', 'SOLIFENACIN', 'Solifenacin', '314', 'Solifenacin', 'Solifenacin', 'SOLIFENACIN', 'solifenacin', 'Solifenacin', 'Solifenacin', '1', 'Solifenacin', 'SOLIFENACIN SUCCINATE']
Records Name['Solifenacin', '(S)-1-Phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl) ester', 'SID50113280', 'Solifenacin', 'SOLIFENACIN', 'SOLIFENACIN', 'Solifenacin', 'Solifenacin', 'Solifenacin', 'Solifenacin', 'SOLIFENACIN', 'solifenacin', 'Solifenacin', 'Solifenacin', 'Solifenacin', 'Solifenacin', 'SOLIFENACIN SUCCINATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure