GNE-131

Ligand id: 10003

Name: GNE-131

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 93.97
Molecular weight 442.2
XLogP 7.16
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide
Synonyms
compound 13 [PMID: 29737846] | GNE 131 | GNE131
Comments
GNE-131 is a potent and selective hNaV1.7 inhibitor that was designed for the treatment of pain [1]. Site-directed mutagenesis experiments show that GNE-131 binds within the anion binding pocket of the channel (around reside R1608).
Database Links
GtoPdb PubChem SID 374883890
PubChem CID 91666633
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