Compound class:
Synthetic organic
Comment: Compound 1 is a discoidin domain receptor tyrosine kinase 1 (DDR1) inhibitor [1]. Its discovery/design was advanced using a deep learning model named generative tensorial reinforcement learning (GENTRL). Using GENTRL compound 1 was identified in only 21 days.
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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Immunopharmacology Comments |
DDR1 is a collagen-activated pro-inflammatory receptor tyrosine kinase that is expressed in epithelial cells and which is involved in fibrosis. Although compound 1 is active in vitro, it requires further optimization to improve selectivity, specificity, and other medicinal chemistry properties, in order to generate an appropriate tool compound for in vitro and in vivo studies of the role of DDR1 in fibrotic processes. |