IC261   Click here for help

GtoPdb Ligand ID: 5985

Synonyms: IC 261 | IC-261
Compound class: Synthetic organic
Comment: IC261 inhibits the activity of casein kinase 1 in an ATP-competitive manner, and is selective for the 1δ and 1ε isoforms of the enzyme.
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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 56.79
Molecular weight 311.12
XLogP 2.85
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(OC)cc(c1C=C1C(=O)Nc2c1cccc2)OC
Isomeric SMILES COc1cc(OC)cc(c1C=C1C(=O)Nc2c1cccc2)OC
InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)
InChI Key JBJYTZXCZDNOJW-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: 1-2

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
casein kinase 1 epsilon nd/CK1epsilon Hs Inhibitor Inhibition 48.3
casein kinase 1 delta CK1δ/CK1d Hs Inhibitor Inhibition 55.5 37.0 6.0
casein kinase 1 alpha 1 nd/CK1a1 Hs Inhibitor Inhibition 59.6
mitogen-activated protein kinase kinase kinase kinase 4 nd/HGK(MAP4K4) Hs Inhibitor Inhibition 66.1
interleukin 1 receptor associated kinase 1 IRAK1/IRAK1 Hs Inhibitor Inhibition 71.1 100.0 103.0
misshapen like kinase 1 MINK/MINK(MINK1) Hs Inhibitor Inhibition 76.8 105.0 50.0
serine/threonine kinase 24 MST3/MST3(STK24) Hs Inhibitor Inhibition 78.7 80.0 76.0
mitogen-activated protein kinase 1 MAPK2/ERK2(MAPK1) Hs Inhibitor Inhibition 81.0 116.0 101.0
serine/threonine-protein kinase MST4 nd/MSTR4 Hs Inhibitor Inhibition 81.7
protein kinase C eta PKCη/PKCeta Hs Inhibitor Inhibition 82.2 94.0 94.0
Displaying the top 10 targets  View all targets in screen »