SOS1 and SMARCA2 Degraders, RORγ and IRAK4 Inhibitors, and More: January 2024 Compound Collection
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Predicting Blood-Brain Barrier Penetration Using A Physics-Based Approach
One of the key challenges in CNS projects is achieving sufficient unbound brain exposure to engage the target. To predict CNS exposure, scientists employ metrics like CNS MPO scores from Pfizer and Merck, Bayesian models, and methods for balancing physicochemical properties. However, these in silico metrics often fail to correlate well with experimental data. Schrödinger's team has discovered the energy of solvation (E-sol) metric, which accurately predicts Kp,uu and has been validated with CNS-penetrant DLK inhibitors. Explore more in this detailed Drug Hunter article.
Drug-Induced Liver Injury: A Medicinal Chemist’s Perspective
DILI is a leading cause of acute liver failure, accounting for half of these cases and often resulting in drug withdrawals. Understanding and managing DILI risk as a medicinal chemist involves exploring the intricate interplay among properties and structural features. In this article, we provide a medicinal chemist's perspective on the current understanding of DILI mechanisms, highlight cutting-edge assay developments for a holistic assessment, and discuss strategies for predicting DILI risks.
June 2024 Molecule Roundup
To choose Molecules of the Month for June, our team reviewed hundreds of molecules from thousands of papers, press releases, conference presentations, and other sources. In this article, you'll find a curated selection of over 60 additional molecules from June that piqued our interest, along with highlights of some of our favorites and explanations of why they're worth keeping an eye on.
Molecules on the Move: April '23
This article compiles 20+ recent small molecules of general interest in the news in April 2023, with structures where they are available. Capacity Bio’s MAS Receptor Agonists with $35M Raised for FIH Clinical Trials MAS modulator from WO2022165189 example 107 New start-up Capacity Bio backed by RA Capital, Insight Partners, and Remiges [...]
July’s Molecules on the Move
To get you up to speed, here’s a recap of July’s molecules on the move, including potential upcoming approvals, key interim trial readouts, new IND submissions, and trial setbacks.
