Bioactive Compound Details

BioIDbio1897
NameLY-3009120
ChEMBL IDCHEMBL3577124
Molecular FormulaC23H29FN6O
Molecular Weight424.52
Molecular Weight (Monoisotopic)424.2387
TypeSmall molecule
Max PhasePhase 1
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDP-4978|LY-3009120|LY3009120|PAN-RAF INHIBITOR LY3009120
SmilesCNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1
InchiInChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)
Inchi KeyHHCBMISMPSAZBF-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets40.0
Bioactivities108.0
Np Likeness Score-1.35
Records Key['LY-3009120', 'LY3009120', 'LY3009120', 'LY3009120', 'LY3009120', '11; LY3009120', 'LY3009120', '13, LY3009120', '77; LY3009120', 'LY3009120', 'LY3009120', 'LY3009120', '1; LY3009120', 'EOS101523', '1; LY3009120']
Records Name['LY-3009120', 'LY3009120', 'LY3009120', 'LY3009120', 'LY3009120', '1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea', '1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea', '1-(3,3-Dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea', '1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea', '1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea', 'LY3009120', 'LY3009120', '1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea', 'LY3009120', '1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure