D4476   

GtoPdb Ligand ID: 5940

Synonyms: casein kinase I inhibitor | CK1 inhibitor | D 4476
Compound class: Synthetic organic
Comment: A cell-permeant, small molecule inhibitor of protein kinase CK1 [5]. Exhibits in vitro and cellular selectivity for CK1-induced phosphorylation events. D4476 is a useful tool for identifying phosphorylation targets of CK1. Also acts as a transforming growth factor beta receptor 1 inhibitor.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 103.12
Molecular weight 398.14
XLogP 3.21
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(=O)c1ccc(cc1)c1nc(c([nH]1)c1ccccn1)c1ccc2c(c1)OCCO2
Isomeric SMILES NC(=O)c1ccc(cc1)c1nc(c([nH]1)c1ccccn1)c1ccc2c(c1)OCCO2
InChI InChI=1S/C23H18N4O3/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12H2,(H2,24,28)(H,26,27)
InChI Key DPDZHVCKYBCJHW-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide
Synonyms
casein kinase I inhibitor | CK1 inhibitor | D 4476
Database Links
CAS Registry No. 301836-43-1
ChEMBL Ligand CHEMBL410456
GtoPdb PubChem SID 178102563
PubChem CID 6419753
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Tocris
D 4476
Cat. No. 2902