Small molecule screening libraries for TR4 active compound discovery

Overview

This offering provides access to extensive small molecule screening libraries designed to accelerate the discovery of active compounds against TR4 and other biological targets. The collection includes a unique 35 million compound mixture-based library built around 92 scaffolds, plus more than 10,000 carefully curated individual drug-like heterocyclic compounds selected from lead-like chemotypes. These resources are available for high-throughput screening (HTS) and high-content screening (HCS), enabling rapid identification of novel bioactive molecules across therapeutic areas.

The libraries have a demonstrated history of supporting successful drug discovery, including the de novo identification of antimicrobial, antifungal, antimalarial, analgesic, antifibrotic, and antitumor agents. Notably, a selective kappa opioid receptor agonist originally identified from this laboratory received FDA approval in August 2021 for the treatment of moderate-to-severe pruritus in hemodialysis patients.

Technical specifications

Key features:

• Mixture-based library: 35 million compounds organized around 92 scaffolds in positional scanning and scaffold ranking formats, enabling analysis of millions of compounds through hundreds to thousands of samples
• Individual compound library: Over 10,000 diverse drug-like heterocyclic compounds selected from lead-like chemotypes
• Pre-plated format: All compounds available in 96-well plates at 10 mM concentration in DMSO
• Customizable delivery: Compounds can be swiftly supplied in different customized formats to meet specific screening needs
• Hit-to-lead support: Structure-activity relationship (SAR) studies available following initial screening for lead optimization
• Quality assurance: Purified compounds exceeding 95% purity for physicochemical and biological testing

Technology readiness level

The screening libraries are fully operational and have been validated through multiple successful drug discovery campaigns. The mixture-based format has been proven effective for de novo identification of active compounds across diverse therapeutic categories, and the individual compound collection is ready for immediate deployment in HTS and HCS workflows. Following initial screening, the team provides downstream support including SAR studies, lead optimization, and production of adequate compound quantities for extensive biological and physicochemical characterization.