MEK inhibitor II   Click here for help

GtoPdb Ligand ID: 6007

Synonyms: NSC-686549 | NSC686549
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 71.52
Molecular weight 289.01
XLogP 1.06
No. Lipinski's rules broken 0
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Canonical SMILES O=C1CCC(=O)N1C1=C(Cl)C(=O)c2c(C1=O)cccc2
Isomeric SMILES O=C1CCC(=O)N1C1=C(Cl)C(=O)c2c(C1=O)cccc2
InChI InChI=1S/C14H8ClNO4/c15-11-12(16-9(17)5-6-10(16)18)14(20)8-4-2-1-3-7(8)13(11)19/h1-4H,5-6H2
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mitogen-activated protein kinase kinase kinase 8 Primary target of this compound Hs Inhibitor Inhibition 7.3 pIC50 - 2
pIC50 7.3 (IC50 5x10-8 M) [2]
mitogen-activated protein kinase kinase 1 Hs Inhibitor Inhibition 6.4 pIC50 - 2
pIC50 6.4 (IC50 3.8x10-7 M) [2]