Bioactive Compound Details

BioIDbio2718
NamePIMAVANSERIN
ChEMBL IDCHEMBL2111101
Molecular FormulaC25H34FN3O2
Molecular Weight427.56
Molecular Weight (Monoisotopic)427.2635
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsPIMAVANSERIN|PIMAVANSERINA|PIMAVANSERINE
SmilesCC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
InchiInChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
Inchi KeyRKEWSXXUOLRFBX-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets69.0
Bioactivities1122.0
Np Likeness Score-1.63
Records Key['Pimavanserin', 'PIMAVANSERIN', 'PIMAVANSERIN', 'Pimavanserin', '1', 'PIMAVANSERIN', 'Pimavanserin', 'Pimavanserin', 'Pimavanserin', 'Pimavanserin', 'EUB0000784a', 'EUB0000784a', 'Pimavanserin', '20', 'EUB0000784a', 'EUB0000784a', 'Pimavanserin', '90', '1', 'EUB0000784a', 'pimavanserin']
Records Name['Pimavanserin', 'PIMAVANSERIN', 'PIMAVANSERIN', 'Pimavanserin', 'Pimavanserin; Nuplazid, 1-(4-fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methylpiperidin-4-yl)urea', 'PIMAVANSERIN', 'Pimavanserin', 'Pimavanserin', 'Pimavanserin', 'Pimavanserin', 'PIMAVANSERIN', 'PIMAVANSERIN', 'Pimavanserin', 'Pimavanserin', 'PIMAVANSERIN', 'PIMAVANSERIN', 'Pimavanserin', 'Pimavanserin', 'Pimavanserin; Nuplazid', 'PIMAVANSERIN', 'pimavanserin']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure