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Chemical structure of cPEPCK inhibitor

GB40158

cPEPCK inhibitor

Also known as N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]acetamide

The first GTP-competitive inhibitor of human cytosolic phosphoenolpyruvate carboxykinase (PEPCK or cPEPCK) with low submicromolar IC50 values

ChemicalCAS628279-07-2MW463.5FormulaC25H26FN5O3
CAS number
628279-07-2
Molecular weight
463.5
Formula
C25H26FN5O3
InChIKey
JHSHXKJSPVHPCJ-UHFFFAOYSA-N
Catalogue number
GB40158
Brand
GLPBIO
Computed properties PubChem CID 447371 · XLogP 3.6 · TPSA 98.4 Ų · H-bond donors 2
XLogP
3.6
TPSA
98.4 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
34

SMILES CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)NC(=N2)CC4=CC=C(C=C4)NC(=O)C

Computed descriptors from PubChem (CID 447371), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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