CRBN Molecular Glues Library

Catalog No. L9800

CRBN (Cereblon) compounds are a class of molecules that interact with the Cereblon protein, typically used to regulate protein degradation or function. Cereblon serves as a substrate recognition subunit in the E3 ubiquitin ligase complex, playing a crucial role in the ubiquitin-proteasome system (UPS). By binding to small molecule compounds, Cereblon can alter its substrate specificity, leading to the ubiquitination and degradation of specific proteins. This mechanism has significant applications in drug development, particularly in the field of targeted protein degradation. CRBN compounds hold substantial promise in this domain, as novel CRBN ligands in the form of molecular glues or PROTACs can be designed to develop innovative therapies for various diseases, including cancer, autoimmune disorders, and neurodegenerative conditions.
Based on high-quality molecular and property datasets and innovative molecular representations, the system fully utilizes the extended capabilities of AI pre-training systems and other AI algorithms for learning and predicting molecular attributes. This results in a multi-dimensional molecular generation system capable of rapidly generating millions of compounds from scratch based on target pocket three-dimensional structures or reference molecules. This approach effectively supports the discovery of active molecular scaffolds for both novel and follow-up innovative targets.
Utilizing an internally developed database mapping compound features to activity and drug-likeness, along with deep insights into computational chemistry, the molecular optimization system employs deep learning and rule-based statistics. It provides recommendations for molecules or functional groups during the HIT-PCC stage to address common drug-likeness issues, accelerating the optimization process post-hit identification according to medicinal chemistry needs.
The library contains 4,775 CRBN-based molecular glue compounds with molecular weights ranging from 250 to 550 Da. A notable feature is the high proportion of sp³-hybridized carbon atoms, which are associated with higher three-dimensional complexity, better solubility, and lower planarity. These characteristics generally correlate with superior drug development potential, as sp³-enriched compounds often exhibit higher selectivity, lower toxicity, and improved pharmacokinetic properties.

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