PF-670462

Ligand id: 9371

Name: PF-670462

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 69.62
Molecular weight 337.17
XLogP 4.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
Database Links
BindingDB Ligand 50364141
ChEMBL Ligand CHEMBL1951415
PubChem CID 11681588
RCSB PDB Ligand 0CK
Search Google for chemical match using the InChIKey WUDBUIUHVNECTM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WUDBUIUHVNECTM
Search UniChem for chemical match using the InChIKey WUDBUIUHVNECTM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WUDBUIUHVNECTM
SynPHARM 83964 (in complex with casein kinase 1 delta)
Comments
We show the parent molecule of PF-670462 here. It is described in the original literature report as the dihydrochloride salt (PubChem CID 51049607) [1]. PF-670462 is a selective inhibitor of casein kinase I epsilon (CKIε).