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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[(2,4,6-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
Synonyms Click here for help
IC 261 | IC-261
Database Links Click here for help
CAS Registry No. 186611-52-9
ChEMBL Ligand CHEMBL576349
GtoPdb PubChem SID 178102608
PubChem CID 3674
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UniChem Compound Search for chemical match using the InChIKey JBJYTZXCZDNOJW-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JBJYTZXCZDNOJW-UHFFFAOYSA-N

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Tocris
IC 261
Cat. No. 6676