MEK inhibitor I   Click here for help

GtoPdb Ligand ID: 6006

Compound class: Synthetic organic
Comment: This is compound 41 in [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 134.25
Molecular weight 374.12
XLogP 2.33
No. Lipinski's rules broken 0
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Canonical SMILES N#CC(=C(Sc1ccccc1N)N)c1cccc(c1)C(c1ccncc1)O
Isomeric SMILES N#C/C(=C(\Sc1ccccc1N)/N)/c1cccc(c1)C(c1ccncc1)O
InChI InChI=1S/C21H18N4OS/c22-13-17(21(24)27-19-7-2-1-6-18(19)23)15-4-3-5-16(12-15)20(26)14-8-10-25-11-9-14/h1-12,20,26H,23-24H2/b21-17+

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen Click here for help
A screen profiling 158 kinase inhibitors (Calbiochem Protein Kinase Inhibitor Library I and II, catalogue numbers 539744 and 539745) for their inhibitory activity at 1µM and 10µM against 234 human recombinant kinases using the EMD Millipore KinaseProfilerTM service.

A screen profiling the inhibitory activity of 178 commercially available kinase inhibitors at 0.5µM against a panel of 300 recombinant protein kinases using the Reaction Biology Corporation Kinase HotspotSM platform.

Reference: 1-2

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action % Activity remaining at 0.5µM % Activity remaining at 1µM % Activity remaining at 10µM
WEE1 G2 checkpoint kinase nd/WEE1 Hs Inhibitor Inhibition 70.9
mitogen-activated protein kinase 1 MAPK2/ERK2(MAPK1) Hs Inhibitor Inhibition 71.1 108.0 98.0
mitogen-activated protein kinase kinase kinase kinase 4 nd/HGK(MAP4K4) Hs Inhibitor Inhibition 73.6
p21 (RAC1) activated kinase 4 PAK4/PAK4 Hs Inhibitor Inhibition 76.3 91.0 91.0
mitogen-activated protein kinase kinase kinase kinase 2 GCK/GCK(MAP4K2) Hs Inhibitor Inhibition 79.0 95.0 83.0
NUAK family, SNF1-like kinase, 2 nd/SNARK(NUAK2) Hs Inhibitor Inhibition 79.2
mitogen-activated protein kinase kinase kinase 8 nd/COT1(MAP3K8) Hs Inhibitor Inhibition 79.8
cyclin dependent kinase 2 CDK2/cyclin E Hs Inhibitor Inhibition 80.6
Rho associated coiled-coil containing protein kinase 2 ROCK-II/ROCK2 Hs Inhibitor Inhibition 80.6 87.0 83.0
protein kinase N2 PRK2/PKN2(PRK2) Hs Inhibitor Inhibition 80.8 98.0 79.0
Displaying the top 10 targets  View all targets in screen »