GS-458967

Ligand id: 9858

Name: GS-458967

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 39.42
Molecular weight 347.05
XLogP 5.87
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Synonyms
GS967
Comments
Late sodium current inhibitor (Late INai) of the cardiac NaV1.5 channel [3]. A May 2018 BJP paper indicates GS-458967 suppresses Torsades de Pointes (this was an author prepublication alert for a new ligand entry). The Gilhead patent has % inhibition data for 355 analogues [2].
Database Links
GtoPdb PubChem SID 363894152
PubChem CID 58118983
Search Google for chemical match using the InChIKey FEVBKJITJDHASC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FEVBKJITJDHASC
Search UniChem for chemical match using the InChIKey FEVBKJITJDHASC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FEVBKJITJDHASC