GSK2606414

Ligand id: 6740

Name: GSK2606414

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 77.04
Molecular weight 469.15
XLogP 4.49
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2, 3-dihydroindol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
Synonyms
3-fluoro-GSK2606414 | compound 38 [PMID: 22827572] [1] | GSK PERK Inhibitor
Database Links
CAS Registry No. 1337531-89-1 (source: SciFinder)
ChEMBL Ligand CHEMBL2171125
PubChem CID 66561167
Search Google for chemical match using the InChIKey PXVQGBJMIQCDEX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PXVQGBJMIQCDEX
Search UniChem for chemical match using the InChIKey PXVQGBJMIQCDEX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PXVQGBJMIQCDEX
Comments
GSK2606414 is an analogue identified by a medicinal chemistry study to find novel, potent and selective protein kinase R (PKR)-like endoplasmic reticulum kinase (PERK) inhibitors [1]. The official HGNC endorsed name for PERK is eukaryotic translation initiation factor 2-alpha kinase 3 (with gene symbol EIF2AK3). GSK2606414 is highly selective and is orally available.