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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|
|PRN694 is a small molecule, covalent inhibitor somewhat selective for the TEC family kinases, IL-2-inducible T cell kinase (ITK) and TXK tyrosine kinase (also known as resting lymphocyte kinase or RLK) [2-3]. In vitro PRN694 is a potent inhibitor of Th1 and Th17 differentiation and cytokine production (IFN-γ production for Th1 and IL-17A for Th17), and in vivo PRN694 markedly reduces disease progression in a mouse colitis model . It is suggested that dual ITK and RLK inhibition may represent a novel therapeutic model for amelioration of Th1-mediated inflammatory diseases.
Mechanistically PRN694 inhibits kinase activity by binding irreversibly to cysteine residue 442 of ITK and 350 of RLK . A series of compounds including PRN694 is claimed in patent WO2014036016 . Example 29 is an enantiomer of PRN694 with one unspecified stereocenter.
|CAS Registry No.||1575818-46-0 (source: PubChem)|
|GtoPdb PubChem SID||318164804|
|Search Google for chemical match using the InChIKey||NXTKFBGDLDPFLB-PKOBYXMFSA-N|
|Search Google for chemicals with the same backbone||NXTKFBGDLDPFLB|
|Search UniChem for chemical match using the InChIKey||NXTKFBGDLDPFLB-PKOBYXMFSA-N|
|Search UniChem for chemicals with the same backbone||NXTKFBGDLDPFLB|