GtoPdb Ligand ID: 8099

Synonyms: AGK 2 | AGK-2
Compound class: Synthetic organic
Comment: AGK2 is a selective sirtuin 2 (SIRT2) inhibitor [3]. The sirtuins are members of the histone deacetylase family.
The SIRT histone deacetylases have been implicated in a wide range of cellular processes including stress resistance, metabolism, differentiation, and aging [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 78.92
Molecular weight 433.04
XLogP 4.91
No. Lipinski's rules broken 0
Canonical SMILES N#CC(=Cc1ccc(o1)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc2c1cccn2
Isomeric SMILES N#C/C(=C\c1ccc(o1)c1cc(Cl)ccc1Cl)/C(=O)Nc1cccc2c1cccn2
InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
Bioactivity Comments
AGK2 may be therapeutically beneficial in diseases caused (at least in part) by aggregation of misfolded proteins.
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
sirtuin 2 Hs Inhibitor Inhibition 4.5 – 5.8 pIC50 - 2-3
pIC50 4.5 – 5.8 (IC50 3.5x10-5 – 1.56x10-6 M) [2-3]