compound A127 [WO2013110309]

Ligand id: 8169

Name: compound A127 [WO2013110309]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 115.8
Molecular weight 408.2
XLogP 2.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-{[2-(4-{5-[(1-ethyl-1H-pyrazol-3-yl)amino]-1H-[1,2,3]triazolo[4,5-d]pyrimidin-1-yl}phenyl)propan-2-yl]oxy}ethan-1-ol
Synonyms
A-127
Comments
Compound A127 is an invention covered by patent WO2013110309 [2]. The compound is reported as an inhibitor of the serine kinase GCN2 (gene symbol EIF2AK4) [1], a kinase involved in the regulation of protein synthesis via phosphorylation of the alpha subunit of eukaryotic translation initiation factor-2 (EIF2α) in response to glucose deprivation. The GCN2-EIF2α-ATF4 pathway is essential for maintaining metabolic homeostasis in tumour cells [3]. Components of this pathway, such as GCN2, are therefore novel targets for the development of anticancer therapeutics.
Database Links
ChEMBL Ligand CHEMBL3260333
GtoPdb PubChem SID 249565849
PubChem CID 90655897
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