GS-458967   

GtoPdb Ligand ID: 9858

Synonyms: GS967
Compound class: Synthetic organic
Comment: 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].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 39.42
Molecular weight 347.05
XLogP 6.82
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES FC(Oc1ccc(cc1)c1ccc2n(c1)c(nn2)C(F)(F)F)(F)F
Isomeric SMILES FC(Oc1ccc(cc1)c1ccc2n(c1)c(nn2)C(F)(F)F)(F)F
InChI InChI=1S/C14H7F6N3O/c15-13(16,17)12-22-21-11-6-3-9(7-23(11)12)8-1-4-10(5-2-8)24-14(18,19)20/h1-7H
InChI Key FEVBKJITJDHASC-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Synonyms
GS967
Database Links
GtoPdb PubChem SID 363894152
PubChem CID 58118983
Search Google for chemical match using the InChIKey FEVBKJITJDHASC-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey FEVBKJITJDHASC-UHFFFAOYSA-N
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