Bioactive Compound Details

BioIDbio200587
NameMESORIDAZINE
ChEMBL IDCHEMBL1088
Molecular FormulaC21H26N2OS2
Molecular Weight386.59
Molecular Weight (Monoisotopic)386.1487
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsMESORIDAZINA|MESORIDAZINE|Mesoridazine|NC-123|NSC-186066|Serentil|THIORIDAZINE-2-SULFOXIDE|TPS-23
SmilesCN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21
InchiInChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
Inchi KeySLVMESMUVMCQIY-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets99.0
Bioactivities160.0
Np Likeness Score-0.6
Records Key['Mesoridazine', 'Mesoridazine', '17', '34, Mesoridazine', '866', 'Mesoridazine', 'Mesoridazine', 'THIORIDAZINE-2-SULFOXIDE', 'SID26756521', 'SID447728', 'SID170465272', '9', 'Mesoridazine', 'SID144203603', 'MESORIDAZINE', 'mesoridazine', 'mesoridazine', 'COVC-3899308686', '49, Table1', 'Mesoridazine', '97 (table SI)', 'SID144205571', 'Mesoridazine', 'MESORIDAZINE', 'mesoridazine', 'BA1000641']
Records Name['2-Methanesulfinyl-10-[2-(1-methyl-piperidin-2-yl)-ethyl]-10H-phenothiazine', '2-Methanesulfinyl-10-[2-(1-methyl-piperidin-2-yl)-ethyl]-10H-phenothiazine', 'mesoridazine', '10-(2-(1-methylpiperidin-2-yl)ethyl)-2-(methylsulfinyl)-10H-phenothiazine', None, '2-Methanesulfinyl-10-[2-(1-methyl-piperidin-2-yl)-ethyl]-10H-phenothiazine', 'Mesoridazine', 'THIORIDAZINE-2-SULFOXIDE', 'SID26756521', 'SID447728', 'SID170465272', 'Mesoridazine', 'Mesoridazine', 'SID144203603', 'MESORIDAZINE', 'mesoridazine', 'mesoridazine', 'MESORIDAZINE', '10-(2-(1-methylpiperidin-2-yl)ethyl)-2-(methylsulfinyl)-10H-phenothiazine', 'Mesoridazine', '2-methanesulfinyl-10-[2-(1-methylpiperidin-2-yl)ethyl]-10H-phenothiazine', 'SID144205571', 'Mesoridazine', 'MESORIDAZINE', 'mesoridazine', 'MESORIDAZINE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure