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Synonyms: Compound 8a [PMID 26334942]
Compound class: Synthetic organic
Comment: Molecular superpositions on previously developed pharmacophore models predicted a suitable position for a methoxy group on a tetrahydroquinoline ring. This lead to the optimisation of a benzyl derivative 8a (UCM1014) with a melatonin receptor MT2 Ki of 0.001 nM and more than 10000-fold selectivity over MT1, as a full agonist tool compound . This is compared with other modulators in a recent melatonin receptor review .
Ligand Activity Visualisation Charts
These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.✖
1. Boscardin E, Alijevic O, Hummler E, Frateschi S, Kellenberger S. (2016)
The function and regulation of acid-sensing ion channels (ASICs) and the epithelial Na(+) channel (ENaC): IUPHAR Review 19.
Br J Pharmacol, 173 (18): 2671-701. [PMID:27278329]
2. Spadoni G, Bedini A, Lucarini S, Mari M, Caignard DH, Boutin JA, Delagrange P, Lucini V, Scaglione F, Lodola A et al.. (2015)
Highly Potent and Selective MT2 Melatonin Receptor Full Agonists from Conformational Analysis of 1-Benzyl-2-acylaminomethyl-tetrahydroquinolines.
J Med Chem, 58 (18): 7512-25. [PMID:26334942]