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Compound class: Synthetic organic
Comment: BI 653048 is a "dissociated" glucocorticoid receptor (GR) agonist (displaying different transcriptional regulatory profiles between gene transrepression and transactivation). This type of drug is designed to reduce the unwanted side-effects common to traditional GR agonists [1-2]. It has favourable drug-like properties, but because it has reduced mouse functional transrepression potency it is not suitable for evaluation in standard preclinical mouse models. BI 653048 is synthesised as the phosphoric acid (H3PO4) cocrystal to optimise physicochemical properties, stability characteristics, solubility and bioavailability compared to the free form .
This ligand is one of the compounds available from Boehringer Ingelheim's opnMe molecular library.
Ligand Activity Visualisation Charts
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.✖
1. Harcken C, Riether D, Kuzmich D, Liu P, Betageri R, Ralph M, Emmanuel M, Reeves JT, Berry A, Souza D et al.. (2014)
Identification of highly efficacious glucocorticoid receptor agonists with a potential for reduced clinical bone side effects.
J Med Chem, 57 (4): 1583-98. [PMID:24506830]
2. Harcken C, Riether D, Liu P, Razavi H, Patel U, Lee T, Bosanac T, Ward Y, Ralph M, Chen Z et al.. (2014)
Optimization of drug-like properties of nonsteroidal glucocorticoid mimetics and identification of a clinical candidate.
ACS Med Chem Lett, 5 (12): 1318-23. [PMID:25516791]
3. Reeves JT, Fandrick DR, Tan Z, Song JJ, Rodriguez S, Qu B, Kim S, Niemeier O, Li Z, Byrne D et al.. (2013)
Development of a large scale asymmetric synthesis of the glucocorticoid agonist BI 653048 BS H3PO4.
J Org Chem, 78 (8): 3616-35. [PMID:23544738]