LY3009120   Click here for help

GtoPdb Ligand ID: 8943

Synonyms: LY-3009120
PDB Ligand
Compound class: Synthetic organic
Comment: LY3009120 is a pan-RAF kinase and RAF dimer inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 91.83
Molecular weight 424.24
XLogP 4.63
No. Lipinski's rules broken 0
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Canonical SMILES CNc1ncc2c(n1)nc(c(c2)c1cc(NC(=O)NCCC(C)(C)C)c(cc1C)F)C
Isomeric SMILES CNc1ncc2c(n1)nc(c(c2)c1cc(NC(=O)NCCC(C)(C)C)c(cc1C)F)C
InChI InChI=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)
Bioactivity Comments
In a screening assay examining over 170 kinases, LY3009120 inhibited only p38 MAPK, EphA2, EphB4, MAP3K1, FYN, and ZAK with binding affinities less than 100 nM [1].
LY3009120 inhibits BRAFV600E with an IC50 of 5.8nM and BRAFV600E/G468A with an IC50 of 17nM [1].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
B-Raf proto-oncogene, serine/threonine kinase Hs Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 9.1x10-9 M) [1]
Raf-1 proto-oncogene, serine/threonine kinase Hs Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.5x10-8 M) [1]
A-Raf proto-oncogene, serine/threonine kinase Hs Inhibitor Inhibition 7.4 pIC50 - 1
pIC50 7.4 (IC50 4.4x10-8 M) [1]