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
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
casein kinase 1 delta Primary target of this compound Hs Inhibitor Inhibition 6.0 pIC50 - 3
pIC50 6.0 (IC50 1x10-6 M) [3]
casein kinase 1 epsilon Primary target of this compound Hs Inhibitor Inhibition 6.0 pIC50 - 3
pIC50 6.0 (IC50 1x10-6 M) [3]
casein kinase 1 alpha 1 Hs Inhibitor Inhibition 4.8 pIC50 - 3
pIC50 4.8 (IC50 1.6x10-5 M) [3]