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Molecular properties generated using the CDK
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.✖
|Compound class||Synthetic organic|
|The monohydrochloride is described in the article , which provides the IUPAC name, 2-(adamantan-1-yl)-N-[2-methyl-5-(9-oxa-3,7-diazabicyclo[3.3.1]non-3-ylcarbonyl)phenyl]acetamide monohydrochloride, for this compound. We represent the molecule here, without the hydrochloride. AZ11657312 is an antagonist of the purinergic receptor 2X, ligand-gated ion channel 7 (P2X7) which is implicated the molecular mechanisms underlying pain and inflammation, as its activation leads to the release of proinflammatory cytokines such as interleukin (IL)-1, tumor necrosis factor (TNF)-α, and IL-6 [3-4]. AZ11657312 has been investigated as an antiinflammatory treatment for conditions such as COPD, Crohn's disease and osteo- and rheumatoid arthritis.
This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox.
|GtoPdb PubChem SID||223366055|
|Search Google for chemical match using the InChIKey||XYNNEMHCLNODBL-UHFFFAOYSA-N|
|Search Google for chemicals with the same backbone||XYNNEMHCLNODBL|
|Search UniChem for chemical match using the InChIKey||XYNNEMHCLNODBL-UHFFFAOYSA-N|
|Search UniChem for chemicals with the same backbone||XYNNEMHCLNODBL|