HC-7366   Click here for help

GtoPdb Ligand ID: 13340

Synonyms: compound 29 [PMID: 38530741] | HC7366
Compound class: Synthetic organic
Comment: HC-7366 is a eukaryotic translation initiation factor 2 alpha kinase 4 (EIF2AK4, a.k.a. GCN2) activator [1]. HC-7366-induced activation of the EIF2AK4 pathway inhibits tumour growth in xenograft models.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 133.2
Molecular weight 508.89
XLogP 0.64
No. Lipinski's rules broken 1

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey
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Canonical SMILES CNC(=O)C1=C2C=NC(=CN2C=N1)C3=C(C(=CC=C3F)NS(=O)(=O)C4=CC(=CN=C4OC)Cl)F
Isomeric SMILES CNC(=O)C1=C2C=NC(=CN2C=N1)C3=C(C=CC(=C3F)NS(=O)(=O)C4=C(N=CC(=C4)Cl)OC)F
InChI InChI=1S/C20H15ClF2N6O4S/c1-24-19(30)18-14-7-25-13(8-29(14)9-27-18)16-11(22)3-4-12(17(16)23)28-34(31,32)15-5-10(21)6-26-20(15)33-2/h3-9,28H,1-2H3,(H,24,30)
InChI Key KIGXQRBUVDDSPP-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-[3-[(5-chloro-2-methoxypyridin-3-yl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide
Synonyms Click here for help
compound 29 [PMID: 38530741] | HC7366
Database Links Click here for help
GtoPdb PubChem SID 496703310
PubChem CID 164593978
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