PF-3644022

Ligand id: 8045

Name: PF-3644022

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 95.15
Molecular weight 374.12
XLogP 3.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(15R)-15-methyl-5-(6-methylpyridin-3-yl)-11-thia-6,14,17-triazatetracyclo[8.8.0.0^{2,7}.0^{12,18}]octadeca-1(10),2,4,6,8,12(18)-hexaen-13-one
Synonyms
PF 3644022 | PF3644022
Database Links
CAS Registry No. 1276121-88-0
ChEMBL Ligand CHEMBL1231206
DrugBank Ligand DB07430
PubChem CID 44631903
RCSB PDB Ligand B97
Search Google for chemical match using the InChIKey CMWRPDHVGMHLSZ-GFCCVEGCSA-N
Search Google for chemicals with the same backbone CMWRPDHVGMHLSZ
Search UniChem for chemical match using the InChIKey CMWRPDHVGMHLSZ-GFCCVEGCSA-N
Search UniChem for chemicals with the same backbone CMWRPDHVGMHLSZ
SynPHARM 81068 (in complex with mitogen-activated protein kinase-activated protein kinase 2)
81069 (in complex with mitogen-activated protein kinase-activated protein kinase 2)
Comments
PF-3644022 is an experimental inhibitor of the protein kinase, mitogen-activated protein kinase-activated protein kinase 2 (MAPKAPK2) [1]. It is orally bioavailable.