Compound Management

Academic/Government

MLSMR

350,478

Identification of novel modulators of drug target

The Molecular Libraries Small Molecule Repository (MLSMR) is a chemically diverse collection of small molecules used for probe discovery as part of the now-retired Molecular Libraries Probe Production Centers Network (MLPCN).

Due to the expansion of NCATS’ compound libraries and the commercial availability of many small molecules from the original NCATS Small Molecule Repository (SMR), NCATS has sunsetted the SMR.

Academic/Government

NExT Diversity Libraries

84,000+

Identification of novel modulators of drug target

The NExT Diversity Libraries contain chemical scaffolds across 10 commercial suppliers and compounds that were selected to fall within the boundaries of drug-like chemical space (e.g., Lipinski's rule of five, high QED scores).

Commercial

Assorted collections

1,000+

Assay validation, identification of control compounds

Commercially available chemical libraries are available to help validate HTS-amenable assays and identify potential small molecule controls. These libraries contain a number of privileged scaffolds and are often biased toward known bioactivity and polypharmacology.

NCATS exclusive

Genesis

100,000+

Identification of novel modulators of drug target

NCATS has assembled the Genesis collection to provide a novel modern chemical library that emphasizes high-quality chemical starting points, sp3-enriched chemotypes, and core scaffolds that enable rapid purchase and derivatization via medicinal chemistry.

NCATS exclusive

Sytravon

44,000

Identification of novel modulators of drug target

The Sytravon library is a retired Pharma screening collection that contains a diversity of novel small molecules, with an emphasis on medicinal chemistry-tractable scaffolds.

NCATS exclusive

NPACT

11,000+

Characterization of target/pathway biology

The NCATS Pharmacologically Active Chemical Toolbox (NPACT) is a library of annotated compounds that inform on novel phenotypes, biological pathways and cellular processes. There are more than 7,000 mechanisms and phenotypes identified in the literature and worldwide patents that cover biological interactions within mammalian, microbial, plant and other model systems.

NCATS exclusive

NPC

2,400

Drug repurposing

The NCATS Pharmaceutical Collection (NPC) is a library of all compounds that have been approved for use by the Food and Drug Administration, along with a number of approved molecules from related agencies in foreign countries.