Predicting & Optimizing the Selectivity Profiles of Novel CELMoD Compounds
Time: 10:00 am
day: Focus Day
Details:
- Unlike achieving potency and selectivity for traditional small molecule inhibitors, reducing degradation of neosubstrate off-targets is complicated by the ternary nature of the complex formed between the POI, CRBN, and the CELMoD agent
- Herein we disclose an analysis of our glutarimide CELMoD library using a simple algorithm to identify the interpretable chemical features correlated with selectivity profiles and general cytotoxicity
- We also disclose simple multiparameter optimization (MPO) functions for each neosubstrate using two to three parameters to predict whether new molecules will likely have undesired off-target degradation activity
