GSK2606414

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Ligands
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

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
GtoPdb PubChem SID	178103351
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.

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.