Compound class:
Synthetic organic
Comment: Compound 16 (acidified with fumaric acid) is reported as an activator of pyruvate kinase M2 (PKM2) that has in vivo anti-tumour activity against glioblastoma multiforme xenografts [1]. It is a prodrug, with the active form being compound 5 in the discovery article.
Ligand Activity Visualisation ChartsThese 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. ✖ |
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Bioactivity Comments |
The value in the table below is that provided for compound 5 in [1]. This exhibited poor water solubility, so was converted to prodrug 16 for in vivo evaluations. An in vitro AC50 value for the prodrug 16 is not provided. In an in vitro model of the blood-brain-barrier (BBB), compound 16 transiently lowers the barrier integrity which indicates that it has the potential to penetrate the BBB |
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