NS9283   

GtoPdb Ligand ID: 3993

Synonyms: NS-9283
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 75.6
Molecular weight 248.07
XLogP 2.58
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1cccc(c1)c1onc(n1)c1cccnc1
Isomeric SMILES N#Cc1cccc(c1)c1onc(n1)c1cccnc1
InChI InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H
InChI Key HGFXDSQLRSWUBO-UHFFFAOYSA-N
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
nicotinic acetylcholine receptor α4 subunit Hs Allosteric modulator Positive - - - 1
α4β2 and α4β4 [1]