Ligand id: 8099

Name: AGK2

Structure and Physico-chemical Properties

2D Structure
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Calculated 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

Molecular properties generated using the CDK

1. Blander G, Guarente L. (2004)
The Sir2 family of protein deacetylases.
Annu. Rev. Biochem., 73: 417-35. [PMID:15189148]
2. Cui H, Kamal Z, Ai T, Xu Y, More SS, Wilson DJ, Chen L. (2014)
Discovery of potent and selective sirtuin 2 (SIRT2) inhibitors using a fragment-based approach.
J. Med. Chem., 57 (20): 8340-57. [PMID:25275824]
3. Outeiro TF, Kontopoulos E, Altmann SM, Kufareva I, Strathearn KE, Amore AM, Volk CB, Maxwell MM, Rochet JC, McLean PJ et al.. (2007)
Sirtuin 2 inhibitors rescue alpha-synuclein-mediated toxicity in models of Parkinson's disease.
Science, 317 (5837): 516-9. [PMID:17588900]