Ly-3009120
1-(3,3-dimethylbutyl)-3-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]urea
Molecular Identity
Ly-3009120
1-(3,3-dimethylbutyl)-3-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]urea
PubChem CID: 71721540
LY3009120 is a member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by methylamino, 5-{[(3,3-dimethylbutyl)carbamoyl]amino}-4-fluoro-2-methylphenyl, and methyl groups at positions 2, 6 and 7, respectively. It is a potent pan RAF inhibitor which inhibits BRAFV600E, BRAFWT and CRAFWT (IC50 = 5.8, 9.1 and 15 nM, respectively). It also inhibits RAF homo- and heterodimers and exhibits anti-cancer properties. It has a role as an autophagy inducer, a necroptosis inhibitor, an antineoplastic agent, an apoptosis inducer and a B-Raf inhibitor. It is a member of phenylureas, an aminotoluene, an aromatic amine, a pyridopyrimidine, a secondary amino compound, a biaryl and a member of monofluorobenzenes.
2D Structure
Properties
C23H29FN6O
Molecular Formula
424.50
Molecular Weight
g/mol
424.2387
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
91.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
599
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(C=C1C2=C(N=C3C(=C2)C=NC(=N3)NC)C)NC(=O)NCCC(C)(C)C)FIsomeric SMILES
SMILES: CC1=CC(=C(C=C1C2=C(N=C3C(=C2)C=NC(=N3)NC)C)NC(=O)NCCC(C)(C)C)FSynonyms(20)
1454682-72-4LY3009120LY-3009120DP-4978LY 30091201GDT36RARODP 4978Pan-raf inhibitor ly3009120Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-CHEBI:167662Urea, N-(3,3-dimethylbutyl)-N'-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido(2,3-d)pyrimidin-6-yl)phenyl)-RefChem:1545691-(3,3-dimethylbutyl)-3-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]ureaCHEMBL3577124N-(3,3-Dimethylbutyl)-N'-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]urea
Data from PubChem (NCBI)
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