D4476

Ligand id: 5940

Name: D4476

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 103.12
Molecular weight 398.14
XLogP 3.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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
PubChem CID 6419753
Search Google for chemical match using the InChIKey DPDZHVCKYBCJHW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DPDZHVCKYBCJHW
Search UniChem for chemical match using the InChIKey DPDZHVCKYBCJHW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DPDZHVCKYBCJHW
Comments
A cell-permeant, small molecule inhibitor of protein kinase CK1 [4]. 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.