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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|
|compound 7c [PMID: 26396690] | JNJ63533054|
|JNJ-63533054 is a small molecule agonist of GPR139 [1,3]. It is orally bioavailable and can cross the blood-brain barrier . It is a surrogate ligand that can be used to examine GPR139 function in the absence of a validated endogenous ligand.
Both PubChem (CID 4879329) and ChEMBL (CHEMBL1509813) record this compound with no specified stereochemistry.
Patent WO2014152917 A2 describes the search for physiological ligands for GPR139 .
|GtoPdb PubChem SID||252827424|
|Search Google for chemical match using the InChIKey||MWDVCHRYCKXEBY-LBPRGKRZSA-N|
|Search Google for chemicals with the same backbone||MWDVCHRYCKXEBY|
|Search UniChem for chemical match using the InChIKey||MWDVCHRYCKXEBY-LBPRGKRZSA-N|
|Search UniChem for chemicals with the same backbone||MWDVCHRYCKXEBY|
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Cat. No. 5666