Synonyms: ent-crizotinib
Compound class:
Synthetic organic
Comment: Inhibition of MTH1 (gene symbol NUDT1) by (S)-crizotinib has revealed small molecule MTH1 inhibitors as a promising new class of anticancer compounds.
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 |
(S)-crizotinib has been reported to inhibit the activity of MTH1 (aka NUDT1) with a Kd of 48nM [1]. (R)-crizotinib is an approved anti-cancer drug, targeting ALK, RON and c-Met protein kinases. However, at NUDT1 (R)-crizotinib is less potent (Kd 781nM) than its (S) counterpart [1]. This highlights the necessity that drug compounds be steroespecifically pure when there is a pharmacological difference in activity between stereoisomers (ie they exhibit distinct molecular mechanisms of action), as enantiomerically impure mixtures may result in off-target effects. A number of chemical suppliers and other submitters to online chemistry databases specify the non-stereoisomeric molecule depicted in PubChem CID 11597571. |