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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
Search Google for chemical match using the InChIKey JBJYTZXCZDNOJW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JBJYTZXCZDNOJW
UniChem Compound Search for chemical match using the InChIKey JBJYTZXCZDNOJW-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JBJYTZXCZDNOJW-UHFFFAOYSA-N

Product suppliers

View disclaimer

Tocris
IC 261 (links to external site)
Cat. No. 6676