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

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Compound 86 is around 70-fold selective for SIRT2 compared to SIRT1 and SIRT3 in a biochemical enzyme activity assay [1]. In vitro, compound 86 protects SH-SY5Y cells against oligomeric α-synuclein toxicity, which is a cellular model of Parkinson's disease neurodegeneration [3-4].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
sirtuin 2 Hs Inhibitor Inhibition 7.1 pKi - 1
pKi 7.1 (Ki 7.3x10-8 M) [1]