PKR inhibitor

Ligand id: 6026

Name: PKR inhibitor

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 98.91
Molecular weight 268.04
XLogP 1.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(8Z)-8-(1H-imidazol-5-ylmethylidene)-6H,7H,8H-[1,3]thiazolo[5,4-e]indol-7-one
Synonyms
AC1O5VPR | ASN 11124542
Database Links
CAS Registry No. 608512-97-6
ChEMBL Ligand CHEMBL235641
PubChem CID 6490494
RCSB PDB Ligand 34L
Search Google for chemical match using the InChIKey VFBGXTUGODTSPK-BAQGIRSFSA-N
Search Google for chemicals with the same backbone VFBGXTUGODTSPK
Search UniChem for chemical match using the InChIKey VFBGXTUGODTSPK-BAQGIRSFSA-N
Search UniChem for chemicals with the same backbone VFBGXTUGODTSPK
Comments
This is compound 16 in [3] which has been shown to be an ATP competitive inhibitor blocking autophosphorylation of PKR.
Double-stranded RNA-activated protein kinase (PKR) is also known as eukaryotic initiation factor 2 subunit α (eIF2α).