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

Classification
Compound class Synthetic organic
IUPAC Name
5-({3-[4-(morpholin-4-yl)benzamido]phenyl}methoxy)pyridine-3-carboxamide
Database Links
PubChem CID 121231415
Search Google for chemical match using the InChIKey VKLKXFOZNHEBSW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VKLKXFOZNHEBSW
Search UniChem for chemical match using the InChIKey VKLKXFOZNHEBSW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VKLKXFOZNHEBSW
Comments
Compound 86 is reported as a selective inhibitor of sirtuin 2 (SIRT2) [1], a NAD-dependent protein deacetylase with protective effects neurodegenerative disease. Compound 86 is shown to be competitive with NAD+ and the enzyme's peptide substrate, with acceptable blood-brain barrier penetrance (a property essential for any drug being developed for neuroprotective activity).

Drug-like SIRT2 inhibitors are being developed to determine if SIRT2 blockade could be of clinical benefit in Parkinson's disease [2].