PF-4800567

Ligand id: 8050

Name: PF-4800567

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 88.08
Molecular weight 359.11
XLogP 1.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[(3-chlorophenoxy)methyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
Synonyms
PF4800567
Database Links
CAS Registry No. 1188296-52-7
ChEMBL Ligand CHEMBL2069623
PubChem CID 53472153
RCSB PDB Ligand 16W
Search Google for chemical match using the InChIKey AUMDBEHGJRZSOO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AUMDBEHGJRZSOO
Search UniChem for chemical match using the InChIKey AUMDBEHGJRZSOO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AUMDBEHGJRZSOO
SynPHARM 81080 (in complex with casein kinase 1 delta)
Wikipedia PF-4800567
Comments
PF-4800567 is an inhibitor of the casein kinase, CK1ε [1].