Drug repurposing aims to discover new indications for existing drugs with known safety profiles. The advent of high-throughput technologies to systematically evaluate drug effects across different cellular contexts enables such discoveries. However, determining a complete list of clinical drugs and obtaining these compounds for laboratory use is surprisingly challenging. To address this challenge, we integrated multiple public and proprietary data sources with chemical vendor catalogs.
The Drug Repurposing Hub is a close collaboration between the Broad Institute Cancer Program, Center for the Development of Therapeutics, and the Connectivity Map group. The Hub consists of 1) a physical drug screening library available in multiple plate formats at the Broad Compound Management facility, 2) manually curated annotations as part of a comprehensive publicly-accessible information resource with data API, and 3) experimental results with LC-MS tracings and future cellular assays. Active engagement of the user community is planned via drug library additions and deposition of new assay results.
More than 6,000 compound samples were purchased from 50 different suppliers. Each compound has been assayed for purity, registered in the Broad compound management system, and annotated for structure, clinical development status, vendor information, mechanism of action, protein targets, and approved indications. Explore library contents now via the Repurposing Hub web application.
We encourage use of the data API or custom web export function (login required) for real-time updates and additional annotation fields (including drug indications and information sources). Basic exports of a subset of the underlying database are provided below. Repurposing Hub data is provided for non-commercial use only. Please contact firstname.lastname@example.org to discuss any commercial applications.
The Repurposing Hub database is available via a RESTful web service using the JSON text-based message format. Registration is required to obtain a user-specific API key. The examples below use a limited demonstration key.
The rep_fda_exclusivity service returns information about the exclusivity period of a given drug. This information was obtained from the FDA Orange Book publication.
The rep_drug_moa service returns information about the mechanism of action of a drug.
The rep_fda_orange-book_term service returns information describing abbreviations used in the Orange Book.
The rep_fda_patent service returns information about the patent of a given drug extracted from the Orange Book.
The rep_sample service returns information about the purity, chemical structure, source, and various textual identifiers of the compound.
The rep_drug service returns information about drug synonyms, clinical status, corresponding FDA Orange Book ingredient(s), and external database identifiers.
The rep_drug_indication service returns information about the indications and disease areas for approved drugs.
The rep_fda_product service returns information about a product extracted from the FDA Orange Book publication.
The rep_drug_target service returns information about the gene target of a compound.
See Repurposing CLUE API documentation for more information.
Several proprietary databases were used in the initial library design and summary analyses. Due to licensing restrictions we cannot provide exports from these resources.
We thank the curators of public drug databases, our chemical vendors, and assay teams. We gratefully acknowledge funding sources including the Broad Next10 initiative, NIH LINCS Program grant 3U54 HG006093, NIH BD2K Program grant 5U01HG008699, NIH training grant T32 CA009172, NIH/Harvard Catalyst training award KL2 TR001100, and Conquer Cancer Foundation of ASCO Young Investigator Award.
Please cite usage as: Corsello SM, Bittker JA, Liu Z, Gould J, McCarren P, Hirschman JE, Johnston SE, Vrcic A, Wong B, Khan M, Asiedu J, Narayan R, Mader CC, Subramanian A, Golub TR. The Drug Repurposing Hub: a next-generation drug library and information resource. Nature Medicine. 23, 405–408 (2017).
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