NS383   Click here for help

GtoPdb Ligand ID: 11474

Compound class: Synthetic organic
Comment: NS383 inhibits acid‐sensing ion channels (ASICs) that contain 1a and 3 subunits [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 64.93
Molecular weight 321.15
XLogP 3.65
No. Lipinski's rules broken 0
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Canonical SMILES CCN1CCc2c(C1)c1NC(=O)/C(=N/O)/c1cc2c1ccccc1
Isomeric SMILES CCN1CCc2c(C1)c1NC(=O)/C(=N/O)/c1cc2c1ccccc1
InChI InChI=1S/C19H19N3O2/c1-2-22-9-8-13-14(12-6-4-3-5-7-12)10-15-17(16(13)11-22)20-19(23)18(15)21-24/h3-7,10,24H,2,8-9,11H2,1H3,(H,20,21,23)
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
ASIC1 Hs Channel blocker - 6.4 pIC50 - 1
pIC50 6.4 (IC50 3.98x10-7 M) [1]
Description: ASIC1a at pH6.5
ASIC3 Hs Channel blocker - 5.7 pIC50 - 1
pIC50 5.7 (IC50 1.995x10-6 M) [1]
Description: at pH6.5