GTS-21   Click here for help

GtoPdb Ligand ID: 11384

Synonyms: DMBX-A
PDB Ligand
Compound class: Synthetic organic
Comment: GTS-21 (DMBX-A), is a novel, small-molecule, orally active and selective α7 nicotinic acetylcholine (nACh) receptor agonist, that has been advanced to clinical evaluation in a range of conditions [4]. There is a report that the anti-inflammatory effects of GTS-21 may be in part due to α7 nACh receptor-independent activity [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 43.71
Molecular weight 308.15
XLogP 2.79
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc(OC)ccc1/C=C/1\CCCN=C1c1cccnc1
Isomeric SMILES COc1cc(OC)ccc1/C=C/1\CCCN=C1c1cccnc1
InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
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Summary of Clinical Use Click here for help
GTS-21 has completed early phase clinical trials for anti-inflammatory potential and for capacity to enhance cognition in neurological and neurodegenerative pathologies.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT02458313 Nicotinic Agonist Effects on BMI and Neuronal Response Phase 1 Interventional University of Colorado, Denver
NCT00414622 GTS21-201 for Alzheimer Disease:GTS-21 Administered Daily for 28 Days to Participants With Probable Alzheimer's Disease Phase 2 Interventional CoMentis
NCT00419445 Safety and Efficacy of GTS21 in Adults With Attention-deficit Hyperactivity Disorder Phase 1/Phase 2 Interventional CoMentis
NCT00783068 Anti-inflammatory Effects of GTS-21 After LPS N/A Interventional Radboud University
NCT00100165 Phase 2 Trial of a Nicotinic Agonist in Schizophrenia Phase 2 Interventional University of Colorado, Denver 3