GNE-616

Ligand id: 10355

Name: GNE-616

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 105.69
Molecular weight 537.15
XLogP 4.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4S)-6-fluoro-4-[(2R,4S)-2-(pyridin-2-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(pyrimidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-sulfonamide
Synonyms
compound 24 [PMID: 30943032] | GNE616
Comments
GNE-616 is an arylsulfonamide class voltage gated sodium channel inhibitor that is selective for the Nav1.7 isoform [5]. This class of inhibitors are channel blockers that bind to the fourth voltage sensing domain (VSD4) of the channel and lock it into the inactivated state [1,6]. Nav1.7 is a mechanistic target that is being pursued for the treatment of chronic pain [2-4,6-7].
Database Links
GtoPdb PubChem SID 384403636
Search Google for chemical match using the InChIKey XQUOWYVEKSXNET-RYGJVYDSSA-N
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