Chemical Compound Libraries
Incorporating over a million high-quality and actively curated compounds, we have a broad collection of compound screening libraries designed to support diverse research objectives across a range of target classes and therapeutic areas.
Our compound libraries can be screened in-house using a wide range of screening and profiling assays or delivered to you as assay-ready plates. Depending on your budget and requirements, libraries can be screened in their entirety, or our experienced team of computational chemists can assist in designing a tailored set matched to your objectives. Additionally, an integrated approach to drug discovery enables you to move quickly and efficiently from hit identification through lead selection, optimization, medicinal chemistry, and beyond.
Compound Library Quality and Curation
Compound library quality is critical to the success of any screening campaign. Our expert compound management team constantly performs quality control on our libraries, both in the output phase of any screen and through a rigorous schedule of randomized sampling, ensuring you have the best starting-point molecules in your screens. Our compound screening team brings together decades of experience in curation, design, and compound management. With knowledge gained over thousands of screens, our scientists know exactly how to get the best results from your campaign.
While varied, large libraries have their advantages, focused small molecule libraries can enhance the speed and ultimate success of your drug discovery program. Our in-house experts have assembled and continually curate a compound library with significant structural diversity and overall lead-like properties, ensuring that resulting hits are worth investigating. They can also advise on creation of more curated library sets for known targets or target groups.
Compound Library Sets for High-Throughput Screening (HTS)
Each compound library may be screened individually or in combination with other screening libraries, allowing a tailored approach to hit identification and the greatest coverage of chemical space, maximizing your chance of finding hits that align with your target product profile.
Download our free compound library guide to learn more about our collections, compound management, and curation, or browse our collections below.
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Diversity Compound Library (~507,000 compounds)
- Designed for diversity across broad chemical space
- Suitable for prosecuting a broad spectrum of targets
- ~90% rule-of-five compliant
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Aspire Diversity Library (~528,000 compounds)
- An expansion to the diversity collection, with similar curation properties
- Available pre-pooled for rapid access to SAMDI ASMS screening
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Lead-Like Compound Library (~137,000 compounds)
- Designed to maximize lead-like properties and maintain diversity profile
- Structural alert-free to ensure known problem chemotypes are excluded
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Target Select Libraries (~34,000 compounds)
- ~34,000 compounds in sets for major target families
- Curated by Charles River scientists
- Sets cover small molecules targeting kinases, protein-protein interactions, and ion channels, as well as RNA-binding small molecules
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Smart Screen Library (over 18,000 compounds)
- Over 18,000 semi-exclusive non-vendor compounds
- Structural, alert-free, and lead-like properties
- Curation driven by protein binding pocket information, scaffold hopping, and novel chemistry
- Adds more than 10,000 Bemis-Murcko scaffolds to existing screening libraries
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Analyticon (Natural-Product Inspired) Library (~25,000 compounds)
- ~25,000 compounds from the Analyticon libraries available to screen as one set:
- NATx: 20,000 synthetic compounds based on >100 chemotypes and inspired by natural product motifs
- MACROx: 1,500 macrocyclic compounds from 9 scaffolds
- MEGx: 3,500 pure plant and microbial natural products
- ~25,000 compounds from the Analyticon libraries available to screen as one set:
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Repurposing/Annotated Libraries (~4,000 compounds)
- A chemically diverse set of compounds that have been approved by the FDA and/or other agencies (~90%) as well as naturally occurring compounds (~10%)
- Covers a wide range of medical indications
- Ready to use for any drug repurposing program
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Fragment Compound Library (~2,200 fragments)
- A diverse collection of ~2,200 fragments
- Optimized properties for fragment screening and chemistry follow-up
- Access to in-house diversity libraries for rapid hit expansion
- Core fragment library, including 3D shape and multiple growth vectors
- 19F labelled fragment set
- Kinase focused fragment sub-set
Benefits of Compound Libraries for Screening
Integrated Services
Integration with other drug discovery services ensures a smooth transfer to your next step.
Comprehensive Libraries
Industry-leading libraries support varied hit identification programs.
Customizable Libraries
Library curation enables cost-effective hit identification.
Compound Libraries Quick Guide
This guide offers detailed insights into the over one million chemical compounds we offer and outlines our processes for curation, quality control, compound management, and screening set design.
Download the Guide
Frequently Asked Questions (FAQs) About Screening Libraries
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What is a compound library?
A compound library is a collection of chemicals that can be used for high-throughput screening and other processes within drug development. The chemical compound characteristics, like structure, purity, and quantity are usually stored in a chemical library database for later use. The goal of building and utilizing a small molecule library is to find compounds that might be a viable drug candidate for your program.
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What compound libraries are available at Charles River?
Charles River fuels drug discovery by offering numerous options for screening with a focus on quality and actionable characteristics, including small molecule and fragment compound libraries, antibody screening libraries, cell line libraries, and cDNA Libraries. If your program requires a unique approach, we are able to offer custom compound library design.
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What is drug repurposing?
Drug repurposing, also known as drug repositioning or re-profiling, is the process of finding a new clinical application for existing drugs or drug candidates that were originally developed for a different disease or condition. This strategy can reduce the costs, timelines and risks associated with the development of new chemical entities. Drug repurposing libraries are curated collection of existing drugs or drug candidates, annotated with known information such as target proteins.
A drug repurposing strategy is often used to advance therapies for rare diseases or other conditions where there is a high clinical unmet need.
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What is the Charles River SmartScreen compound library?
The Charles River SmartScreen compound library is a unique library in which the design was driven by protein binding pocket information, scaffold hopping, and novel chemistry. It contains ~18,000 semi-exclusive non-vendor compounds and as with our other libraries, we can build in follow-up chemistry services within an HTS package for solid resupply of SmartScreen hits.