PD 169316   Click here for help

GtoPdb Ligand ID: 6016

Synonyms: PD-169316 | PD169316
Compound class: Synthetic organic
Comment: PD 169316 is a selective inhibitor of p38 MAPK
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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 4
Topological polar surface area 84.71
Molecular weight 360.1
XLogP 4.93
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)c1nc([nH]c1c1ccncc1)c1ccc(cc1)[N+](=O)[O-]
Isomeric SMILES Fc1ccc(cc1)c1nc([nH]c1c1ccncc1)c1ccc(cc1)[N+](=O)[O-]
InChI InChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)
InChI Key BGIYKDUASORTBB-UHFFFAOYSA-N

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.

http://www.millipore.com/techpublications/tech1/pf3036
http://www.reactionbiology.com/webapps/main/pages/kinase.aspx


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
casein kinase 1 delta CK1δ/CK1d Hs Inhibitor Inhibition 7.4 1.0 4.0
mitogen-activated protein kinase 14 SAPK2a/P38a(MAPK14) Hs Inhibitor Inhibition 7.8 1.0 2.0
casein kinase 1 epsilon nd/CK1epsilon Hs Inhibitor Inhibition 17.3
nemo like kinase NLK/NLK Hs Inhibitor Inhibition 23.1 31.0 40.0
mitogen-activated protein kinase 11 SAPK2b/P38b(MAPK11) Hs Inhibitor Inhibition 27.6 5.0 3.0
receptor interacting serine/threonine kinase 2 RIPK2/RIPK2 Hs Inhibitor Inhibition 32.8 19.0 25.0
A-Raf proto-oncogene, serine/threonine kinase nd/ARAF Hs Inhibitor Inhibition 39.1
protein kinase D3 nd/PKCnu(PRKD3) Hs Inhibitor Inhibition 40.3
TXK tyrosine kinase Txk/TXK Hs Inhibitor Inhibition 42.1 61.0 66.0
Raf-1 proto-oncogene, serine/threonine kinase c-RAF/RAF1 Hs Inhibitor Inhibition 43.9 20.0 13.0
Displaying the top 10 targets  View all targets in screen »