NS6740   Click here for help

GtoPdb Ligand ID: 11383

Synonyms: A-793394 | A793394 | NS-6740
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: NS6740 (A-582941) is described as a silent agonist (or metagonist) of α7 nicotinic acetylcholine receptors (CHRNA7; nAChR, a ligand-gated ion channel) [1]. This means that it binds to the receptor but has no intrinsic agonist activity (and may induce conformational change to a non-conducting state), but it does increase receptor sensitivity to positive allosteric modulators (PAMs). The α7 nAChR; is a promising drug target inflammatory diseases and neurological disorders (e.g. chronic and neuropathic) pain. NS6740 can be used to explore the most suitable mechanistic approach by which to achive clinical benefit from modulating the α7 nAChR [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 36.69
Molecular weight 364.14
XLogP 3.33
No. Lipinski's rules broken 0
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Canonical SMILES O=C(N1CCN2CCC1CC2)c1ccc(o1)c1cccc(c1)C(F)(F)F
Isomeric SMILES O=C(N1CCN2CCC1CC2)c1ccc(o1)c1cccc(c1)C(F)(F)F
InChI InChI=1S/C19H19F3N2O2/c20-19(21,22)14-3-1-2-13(12-14)16-4-5-17(26-16)18(25)24-11-10-23-8-6-15(24)7-9-23/h1-5,12,15H,6-11H2
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
A-793394 | A793394 | NS-6740
Database Links Click here for help
ChEMBL Ligand CHEMBL2380804
GtoPdb PubChem SID 440816752
PubChem CID 10021664
Search Google for chemical match using the InChIKey VSOWCIMCDKXVRC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VSOWCIMCDKXVRC
UniChem Compound Search for chemical match using the InChIKey VSOWCIMCDKXVRC-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VSOWCIMCDKXVRC-UHFFFAOYSA-N