AGK2   

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
Click here for structure editor
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
SMILES / InChI / InChIKey
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+
InChI Key SVENPFFEMUOOGK-SDNWHVSQSA-N
Bioactivity Comments
AGK2 may be therapeutically beneficial in diseases caused (at least in part) by aggregation of misfolded proteins.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
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]