MEK1/2 inhibitor   Click here for help

GtoPdb Ligand ID: 6008

Synonyms: SL-327 | SL327
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 101.13
Molecular weight 335.07
XLogP 3.74
No. Lipinski's rules broken 0
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Canonical SMILES N#CC(=C(Sc1ccc(cc1)N)N)c1ccccc1C(F)(F)F
Isomeric SMILES N#C/C(=C(\Sc1ccc(cc1)N)/N)/c1ccccc1C(F)(F)F
InChI InChI=1S/C16H12F3N3S/c17-16(18,19)14-4-2-1-3-12(14)13(9-20)15(22)23-11-7-5-10(21)6-8-11/h1-8H,21-22H2/b15-13+
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mitogen-activated protein kinase kinase 2 Primary target of this compound Hs Inhibitor Inhibition 6.7 pIC50 - 2
pIC50 6.7 (IC50 2.2x10-7 M) [2]