Bioactive Compound Details

BioIDbio2178
NameFANANSERIN
ChEMBL IDCHEMBL83894
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53
Molecular Weight (Monoisotopic)425.1573
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsFANANSERIN|FANANSERINA|FANANSERINE|Fananserin|RP 62203|RP-62203
SmilesO=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1
InchiInChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
Inchi KeyVGIGHGMPMUCLIQ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets83.0
Bioactivities214.0
Np Likeness Score-1.73
Records Key['24', 'Fananserin', 'SI-S11, 1', 'SID144206140', 'SID170466120', '1', 'SID50112947', 'FANANSERIN', 'fananserin', '12, Fenanserin', 'FANANSERIN', 'Table 1, R1C1', 'fananserin', 'COVC-3361754273', 'fananserin', 'EUB0000366a', 'EUB0000366a', 'EUB0000366a', '73; RP62203', 'EUB0000366a', 'EUB0000366a']
Records Name['2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide', '2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide(Fananserin)', 'fananserin', 'SID144206140', 'SID170466120', 'fananserin', 'SID50112947', 'FANANSERIN', 'fananserin', '2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide (Fenanserin)', 'FANANSERIN', 'Fananserin', 'fananserin', 'FANANSERIN', 'fananserin', 'FANANSERIN', 'FANANSERIN', 'FANANSERIN', 'Fananserin', 'FANANSERIN', 'FANANSERIN']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure