Bioactive Compound Details

BioIDbio2933
NamePITOLISANT
ChEMBL IDCHEMBL462605
Molecular FormulaC17H26ClNO
Molecular Weight295.85
Molecular Weight (Monoisotopic)295.1703
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBF-2.649|BF-2649|BF2.649|HBS-101|PITOLISANT|Pitolisant|Tiprolisant|Wakix|Wakix, Europe
SmilesClc1ccc(CCCOCCCN2CCCCC2)cc1
InchiInChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
Inchi KeyNNACHAUCXXVJSP-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets73.0
Bioactivities153.0
Np Likeness Score-1.15
Records Key['25, BF2.649', 'Pitolisant', 'Tiprolisant, BF2.649', 'BF2.649', '7, BF 2-649', 'BF2.649', 'PIT', 'BF2.649', 'Pitolisant', 'Pitolisant', '3', '28', 'COVC-0673327296', 'Pitolisant', 'PITOLISANT', '6, BF2.649', 'PITOLISANT', 'Pitolisant', 'Pitolisant', '48', 'Pitolisant', 'PITOLISANT', 'BF2.649', 'Pitolisant', 'Pitolisant', 'Pitolisant', 'Pitolisant', 'Pito', 'Pitolisant', '55', 'pitolisant', 'Pitolisant', '46', 'Pitolisant', 'Pitolisant', 'Pito']
Records Name['1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine', '1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine', 'Pitolisant', '1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine', '1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine', '1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine', 'Pitolisant', 'Tiprolisant', 'Pitolisant', 'Pitolisant', 'Pitolisant', 'Pitolisant', 'TIPROLISANT HYDROCHLORIDE', 'Pitolisant', 'PITOLISANT', '1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine', 'PITOLISANT', 'Pitolisant', 'Pitolisant', '1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine', 'Pitolisant', 'PITOLISANT', 'BF2.649', 'Pitolisant', 'Pitolisant', 'Pitolisant', 'Pitolisant', 'Pitolisant', 'Pitolisant', 'Pitolisant', 'pitolisant', 'Pitolisant', 'Pitolisant', 'Pitolisant', 'Pitolisant', 'Pitolisant']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure