Bioactive Compound Details

BioIDbio1075
NameFUMITREMORGIN
ChEMBL IDCHEMBL410316
Molecular FormulaC22H25N3O3
Molecular Weight379.46
Molecular Weight (Monoisotopic)379.1896
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsFumitremorgin C
SmilesCOc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@@H]1C3
InchiInChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1
Inchi KeyDBEYVIGIPJSTOR-FHWLQOOXSA-N
Molecular SpeciesNEUTRAL
Targets84.0
Bioactivities142.0
Np Likeness Score0.84
Records Key['Fumitremorgin C', 'Fumitremorgin C', 'Fumitremorgin C', '10', 'Fumitremorgin C', '1', 'SID535144', 'Fumitremogin C', '1', 'FTC', 'FTC', 'Fumitremorgin C', 'Fumitremorgin C', 'FTC', '1; FTM-C', 'FTC', 'Fumitremorgin C', 'FTC', '0719655:01', 'Fumitremorgin C', '3; FTC', '1', 'fumitremorgin C', 'fumitre -morgin C', 'Fumitremorgin C', 'FTC', 'FTC', 'FTC', 'FTC', 'Fumitremorgin C', '1i']
Records Name['Fumitremorgin C', 'Fumitremorgin C', 'Fumitremorgin C', '12-alpha-fumitremorgin C', 'Fumitremorgin C', 'Fumitremorgin C', 'SID535144', 'Fumitremogin C', 'fumitremorgin C', 'fumitremorgin', 'fumitremorgin C', 'Fumitremorgin C', 'Fumitremorgin C', 'fumitremorogin C', 'Fumitremorgin C', 'Fumitremorgin C', 'Fumitremorgin C', 'Fumitremorgin C', 'CO-ADD:0137280', 'Fumitremorgin C', 'Fumitremorgin C', 'Fumitremorgin C', 'fumitremorgin C', 'fumitre-morgin C', 'Fumitremorgin C', 'Fumitremorgin C', 'Fumitremorgin C', 'Fumitremorgin C', 'Fumitremorgin C', 'Fumitremorgin C', 'Fumitremorgin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure