compound 86 [PMID: 26982234]

Ligand id: 9251

Name: compound 86 [PMID: 26982234]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 106.78
Molecular weight 432.18
XLogP 2.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Ai T, Wilson DJ, More SS, Xie J, Chen L. (2016)
5-((3-Amidobenzyl)oxy)nicotinamides as Sirtuin 2 Inhibitors.
J. Med. Chem.59 (7): 2928-41. [PMID:26982234]
2. Donmez G, Outeiro TF. (2013)
SIRT1 and SIRT2: emerging targets in neurodegeneration.
EMBO Mol Med5 (3): 344-52. [PMID:23417962]
3. Luk KC, Kehm V, Carroll J, Zhang B, O'Brien P, Trojanowski JQ, Lee VM. (2012)
Pathological α-synuclein transmission initiates Parkinson-like neurodegeneration in nontransgenic mice.
Science338 (6109): 949-53. [PMID:23161999]
4. Wang MS, Boddapati S, Emadi S, Sierks MR. (2010)
Curcumin reduces alpha-synuclein induced cytotoxicity in Parkinson's disease cell model.
BMC Neurosci11: 57. [PMID:20433710]