Bioactive Compound Details

BioIDbio123189
NameFLUPENTIXOL
ChEMBL IDCHEMBL54661
Molecular FormulaC23H25F3N2OS
Molecular Weight434.53
Molecular Weight (Monoisotopic)434.164
TypeSmall molecule
Max PhasePhase 3
Target IDTar85
Target NameNone
SynonymsFLUPENTHIXOL|FLUPENTIXOL|LC 44|LC-44|N-7009
SmilesOCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InchiInChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-
Inchi KeyNJMYODHXAKYRHW-DVZOWYKESA-N
Molecular SpeciesNEUTRAL
Targets54.0
Bioactivities143.0
Np Likeness Score-0.77
Records Key['SID50111069', '36', 'Flupentixol', 'cis-flupenthixol', '25 cis- flupenthixol', 'cis-flupenthixol', 'Flupenthixol', '60 (Flupenthixol)', 'flupentixol', 'Flupentixole', 'flupenthixol', 'SID26755684', 'Flupenthixol', 'FLUPENTIXOL', 'SID170465964', '64', '7', '5', '44', 'FLUPENTIXOL', '48 (cis-flupentixol)', 'FLUPENTIXOL', 'cis-flupenthixol', 'FLUPENTIXOL', '25', '23', 'FLUPENTIXOL', 'SID90341514', 'SID29216405', 'Flupentixol', 'flupentixol', 'SID144205556', 'COVC-1215041578', 'Flupentixol', 'SID50111070', 'Flupentixol']
Records Name['SID50111069', '2-(4-{3-[2-Trifluoromethyl-thioxanthen-(9Z)-ylidene]-propyl}-piperazin-1-yl)-ethanol', '(cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol', '2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol', '2-(4-{3-[2-Trifluoromethyl-thioxanthen-(9Z)-ylidene]-propyl}-piperazin-1-yl)-ethanol', '2-(4-{3-[2-Trifluoromethyl-thioxanthen-(9E)-ylidene]-propyl}-piperazin-1-yl)-ethanol', 'Flupenthixol', 'FLUPENTHIXOL2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol', '2-(4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazin-1-yl)ethanol', 'Flupentixole', 'flupenthixol', 'SID26755684', 'Flupenthixol', 'FLUPENTIXOL', 'SID170465964', 'Z-flupentixol', 'cis-(Z)-Flupenthixol', 'Flupentixol', '2-(4-{3-[2-Trifluoromethyl-thioxanthen-(9E)-ylidene]-propyl}-piperazin-1-yl)-ethanol', 'FLUPENTIXOL', '2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol', 'FLUPENTIXOL', '(cis-flupenthixol)2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol', 'FLUPENTIXOL', 'Flupentixol', 'Flupenthixol', 'FLUPENTIXOL', 'SID90341514', 'SID29216405', 'Flupentixol', 'flupentixol', 'SID144205556', 'FLUPENTIXOL', 'Flupentixol', 'SID50111070', 'Flupentixol']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure