PD98059   Click here for help

GtoPdb Ligand ID: 5241

Synonyms: PD 98059 | PD-98059
Compound class: Synthetic organic
Comment: PD98059 is a non-ATP competitive MEK inhibitor i.e. it acts as a negative allosteric modulator [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 65.46
Molecular weight 267.09
XLogP 3.98
No. Lipinski's rules broken 0
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Canonical SMILES COc1cccc(c1N)c1cc(=O)c2c(o1)cccc2
Isomeric SMILES COc1cccc(c1N)c1cc(=O)c2c(o1)cccc2
InChI InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3

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: 1,3

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
calcium/calmodulin dependent protein kinase ID CaMKIδ/CAMK1d Hs Inhibitor Inhibition 65.3 123.0 120.0
neurotrophic receptor tyrosine kinase 2 TrkB/TRKB Hs Inhibitor Inhibition 65.4 105.0 87.0
mitogen-activated protein kinase kinase 1 MEK1/MEK1 Hs Inhibitor Inhibition 69.1 103.0 111.0
mitogen-activated protein kinase kinase 2 nd/MEK2 Hs Inhibitor Inhibition 69.2
leukocyte receptor tyrosine kinase nd/TYK1(LTK) Hs Inhibitor Inhibition 75.4
mitogen-activated protein kinase 14 SAPK2a/P38a(MAPK14) Hs Inhibitor Inhibition 76.2 86.0 94.0
TAO kinase 3 TAO3/TAOK3(JIK) Hs Inhibitor Inhibition 77.0 95.0 87.0
microtubule affinity regulating kinase 4 nd/MARK4 Hs Inhibitor Inhibition 77.8
TAO kinase 1 TAO1/TAOK1 Hs Inhibitor Inhibition 77.9 99.0 85.0
testis specific serine kinase 2 TSSK2/TSSK2 Hs Inhibitor Inhibition 79.7 89.0 86.0
Displaying the top 10 targets  View all targets in screen »