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Compound Repository

SubMenus: Operations | MLSMR Compounds | Data Sharing | Compound Solicitation | Compound Submission | Points of Contact

The Molecular Libraries Small Molecule Repository (MLSMR) is designed to identify, acquire, maintain, and distribute to the MLPCN a collection of >300,000 chemically diverse compounds with known and unknown biological activities for use in high-throughput screening (HTS) of biological assays submitted by the research community and implemented within the centers. The chemical structures of the compounds in the repository, along with the associated screening data obtained from the MLP efforts, will be shared with the public through PubChem.

Established through a contract to Evotec (US) Inc., the Molecular Libraries Small Molecule Repository (MLSMR) serves several critical roles. More …

Future Acquisitions

Going forward the MLSMR compound collection will be expanded mainly from non-commercial sources. If you are a chemist interested in submitting your compounds for tests of biological relevance we encourage you to get in touch with us either via email or responding to this NIH Notice. Other sources of supplementing the collection will come through (1) MLPCN center optimization efforts; (2) NIH P41 grantees awarded through the “Pilot-Scale Libraries for High-Throughput Screening” initiative; and (3) supplementing the collection of known bioactives.


The NIH Clinical Collection (NCC) is a plated array of approximately 450 small molecules that have a history of use in human clinical trials. The collection was assembled by the National Institutes of Health (NIH) through the Molecular Libraries Roadmap Initiative as part of its mission to enable the use of compound screens in biomedical research.
Similar collections of FDA approved drugs have proven to be rich sources of undiscovered bioactivity and therapeutic potential. The clinically tested compounds in the NCC are highly drug-like with known safety profiles. These compounds can provide excellent starting points for medicinal chemistry optimization and, for high-affinity targets, may even be appropriate for direct human use in new disease areas. The NCC collection is arrayed in six 96-well plates. 50 μl of each compound is supplied, as an approximately 10 mM solution in 100% DMSO and is provided to investigators at cost (currently $805).