Bioactive Compound Details

BioIDbio1412
NameSULINDAC SULFIDE
ChEMBL IDCHEMBL18797
Molecular FormulaC20H17FO2S
Molecular Weight340.42
Molecular Weight (Monoisotopic)340.0933
TypeSmall molecule
Max PhaseUnknown
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCIS-SULINDAC SULFIDE|SULINDAC RELATED COMPOUND C|SULINDAC SULFIDE, (Z)-|SULINDAC SULPHIDE, (Z)-|Sulindac Sulfide|Sulindac sulfide|Z-SULINDAC SULFIDE
SmilesCSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1
InchiInChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
Inchi KeyLFWHFZJPXXOYNR-MFOYZWKCSA-N
Molecular SpeciesACID
Targets138.0
Bioactivities380.0
Np Likeness Score-0.74
Records Key['1b', 'sulindac sulfide', 'Sulindac sulfide', '4', 'Sulindac sulfide', 'sulindac sulfide', '8', 'sulindac sulfide', 'Sulindac sulfide', 'sulindac sulfide 0.00005 molar', 'SID170466724', '4', '11, sulindac sulfide', '2', 'SULINDAC SULFIDE', 'SID144207185', 'SULINDAC SULFIDE', 'Sulindac Sulfide', 'Sulindac sulfide', 'sulindac sulfide', 'c', '4', 'SID26755246', '5', 'Sulindac sulfide']
Records Name['sulindac sulfide', 'sulindac sulfide', '{6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-meth-(E)-ylidene]-3H-inden-1-yl}-acetic acid', 'sulindac sulfide', '2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-methyl-3H-inden-1-yl)acetic acid', 'sulindac sulfide', 'Sulindac sulfide', 'sulindac sulfide', '[6-Fluoro-2-methyl-3-(4-methylsulfanyl-benzylidene)-3H-inden-1-yl]-acetic acid', 'sulindac sulfide', 'SID170466724', 'sulindac sulfide', '2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-methyl-3H-inden-1-yl)acetic acid', 'sulindac sulfide', 'Sulindac Sulfide', 'SID144207185', 'SULINDAC SULFIDE', '{6-Fluoro-2-methyl-3-[1-[4-(methyl-lambda*4*-sulfanyl)-phenyl]-meth-(E)-ylidene]-3H-inden-1-yl}-acetic acid', 'Sulindac sulfide', '(Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-methyl-3H-inden-1-yl)acetic acid', '(Z)-2-(6-Fluoro-2-methyl-3-(4-(methylthio)benzylidene)-3Hinden-1-yl)acetic acid', 'sulindac sulfide', 'SID26755246', '2-(5-fluoro-2-methyl-1-(4-(methylthio)benzylidene)-1H-inden-3-yl)acetic acid', 'Sulindac sulfide']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure