Bioactive Compound Details

BioIDbio2738
NameMIZOLASTINE
ChEMBL IDCHEMBL94454
Molecular FormulaC24H25FN6O
Molecular Weight432.5
Molecular Weight (Monoisotopic)432.2074
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsMIZOLASTINA|MIZOLASTINE|MIZOLLEN
SmilesCN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InchiInChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)
Inchi KeyPVLJETXTTWAYEW-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets75.0
Bioactivities129.0
Np Likeness Score-1.6
Records Key['Mizolastine', 'mizolastine', 'MIZOLASTINE', 'SID144206216', '36, Mizolastine', '15', '2', 'Mizolastine', 'Mizolastine', 'SID170465604', '26, Table 2', 'SID50125752', 'Mizolastine', 'MIZOLASTINE', 'Mizolastine (Mizollen)', '15 (Mizolastine)', 'Mizolastine', 'MIZOLASTINE', 'MIZOLASTINE', 'MIZOLASTINE (MIZOLLEN)', 'MIZOLASTINE', 'Mizolastine (Mizollen)', 'Mizolastine (Mizollen)', 'mizolastine', 'BA1001185']
Records Name['2-({1-[1-(4-Fluoro-benzyl)-1H-benzoimidazol-2-yl]-piperidin-4-yl}-methyl-amino)-3H-pyrimidin-4-one', 'mizolastine', 'MIZOLASTINE', 'SID144206216', '2-((1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)piperidin-4-yl)(methyl)amino)pyrimidin-4(3H)-one', 'Mizolastine', '2-((1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)piperidin-4-yl)(methyl)amino)pyrimidin-4(3H)-one', '2-({1-[1-(4-Fluoro-benzyl)-1H-benzoimidazol-2-yl]-piperidin-4-yl}-methyl-amino)-3H-pyrimidin-4-one', '2-({1-[1-(4-Fluoro-benzyl)-1H-benzoimidazol-2-yl]-piperidin-4-yl}-methyl-amino)-3H-pyrimidin-4-one', 'SID170465604', '2-((1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)piperidin-4-yl)(methyl)amino)pyrimidin-4(3H)-one', 'SID50125752', 'Mizolastine', 'MIZOLASTINE', 'Mizolastine (Mizollen)', '2-({1-[3-(4-Fluoro-benzyl)-1H-benzoimidazol-2-yl]-piperidin-4-yl}-methyl-amino)-2,3-dihydro-1H-pyrimidin-4-one (Mizolastine)', 'Mizolastine', 'MIZOLASTINE', 'MIZOLASTINE', 'MIZOLASTINE (MIZOLLEN)', 'MIZOLASTINE', 'Mizolastine (Mizollen)', 'Mizolastine (Mizollen)', 'mizolastine', 'MIZOLASTINE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure