Bioactive Compound Details

BioIDbio1904
NameDEMECOLCINE
ChEMBL IDCHEMBL312862
Molecular FormulaC21H25NO5
Molecular Weight371.43
Molecular Weight (Monoisotopic)371.1733
TypeSmall molecule
Max PhasePhase 2
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsC-12669|COLCHAMINE|DEACETYL-N-METHYLCOLCHICINE|DEMECOLCINA|DEMECOLCINE|NSC-3096|SUBSTANCE F
SmilesCN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21
InchiInChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1
Inchi KeyNNJPGOLRFBJNIW-HNNXBMFYSA-N
Molecular SpeciesBASE
Targets34.0
Bioactivities93.0
Np Likeness Score1.0
Records Key['4', 'Demecolcine', '2', '14, colcemide', 'SID144205849', 'Colcemid', 'Colcemid', 'colcemide', '1b', '6', 'Demicolcine', 'Demecolcine', '4', 'SID164339377', 'SID56320682', 'Colcemid', 'SID56320683', 'DEMECOLCINE', '4 (Demecolcine)', 'SID124893212', '5', 'DEMECOLCINE', 'Colcemid', 'SID29217793', 'Colcemid', 'Colcemid']
Records Name['1,2,3,10-Tetramethoxy-7-methylamino-2,3,6,7-tetrahydro-5H-benzo[a]heptalen-9-one', 'Demecolcine', '1,2,3,10-Tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one', '(S)-1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one', 'SID144205849', 'Colcemid', '1,2,3,10-Tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one (Colcemid)', 'colcemide', 'colcemid', '(-)-demecolcine', 'Demicolcine', 'Demecolcine', '1,2,3,10-Tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one', 'SID164339377', 'SID56320682', 'Colcemid', 'SID56320683', 'DEMECOLCINE', '1,2,3,10-Tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one (Demecolcine)', 'SID124893212', 'demecolcine', 'DEMECOLCINE', 'Colcemid', 'SID29217793', 'Colcemid', 'Colcemid']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure