Skip to main content

Drug safety information: Boxed warnings and Withdrawn drugs

Updated drug safety information is available (as of ChEMBL 28) for drugs with boxed warnings and for withdrawn drugs. 

Boxed warnings (also know as black box warnings) are provided on medicinal product labels for FDA approved drugs if the medicinal product can cause severe or life-threatening side effects. They are free text descriptions, enclosed within a black box, hence the name! For example, Oxaprozin is used to treat osteoarthritis but carries a boxed warning.

Our recent work has classified the type of adverse effect described in boxed warnings on a per drug basis. For medicinal products that contain one active pharmaceutical ingredient, a boxed warning can be directly linked to a drug. Therefore, toxicity class(es) have been assigned to approved drugs with boxed warning information described on medicinal product labels (e.g. Cardiotoxicity, Hepatotoxicity etc). Clickable links to examples of medicinal product labels with boxed warning text descriptions have been retained to allow database users to drill down through the information “audit trail” to examine the source information. Further details are available from Hunter et al., 2021

As part of this effort, source references for previously curated withdrawn drugs have also been publicly exposed, ie drugs that have been approved but subsequently withdrawn from one or more markets of the world for safety reasons. See our blog on Withdrawn Drugs.

All safety information can be accessed in the ChEMBL web interface via the Drugs view (which is grouped by parent compound) or via the Compound view (for either view, filter on the left hand side by 'withdrawn flag' or 'black box warning'). For an individual drug, detailed drug warning information and source references are available on the Compound Report Card, e.g. Tolcapone, CHEMBL1324, is approved to treat Parkinson's Disease but carries a warning of Hepatotoxicity:
  





Programatic access is also available via our new Drug_Warning API endpoint, e.g. a search for hepatotoxic drugs (either withdrawn or those with a boxed warning) could apply this syntax: 
https://www.ebi.ac.uk/chembl/api/data/drug_warning.json?warning_class=Hepatotoxicity

The drug safety information allows drugs that cause similarly reported toxicities to be easily grouped, analyzed, and visualized. The ChEMBL resource contains a wide range of bioactivity data types, from early “Discovery” stage preclinical data for individual compounds through to postclinical data on marketed drugs; the inclusion of the drug safety information within this framework can support a wide range of safety-related drug discovery questions. The drug safety information will be updated in future database releases. 

This work has received funding from the Innovative Medicines Initiative 2 Joint Undertaking under grant agreement No 116030. This Joint Undertaking receives support from the European Union’s Horizon 2020 research and innovation programme and EFPIA. 




Comments

Popular posts from this blog

ChEMBL 34 is out!

We are delighted to announce the release of ChEMBL 34, which includes a full update to drug and clinical candidate drug data. This version of the database, prepared on 28/03/2024 contains:         2,431,025 compounds (of which 2,409,270 have mol files)         3,106,257 compound records (non-unique compounds)         20,772,701 activities         1,644,390 assays         15,598 targets         89,892 documents Data can be downloaded from the ChEMBL FTP site:  https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_34/ Please see ChEMBL_34 release notes for full details of all changes in this release:  https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_34/chembl_34_release_notes.txt New Data Sources European Medicines Agency (src_id = 66): European Medicines Agency's data correspond to EMA drugs prior to 20 January 2023 (excluding vaccines). 71 out of the 882 newly added EMA drugs are only authorised by EMA, rather than from other regulatory bodies e.g.

New SureChEMBL announcement

(Generated with DALL-E 3 ∙ 30 October 2023 at 1:48 pm) We have some very exciting news to report: the new SureChEMBL is now available! Hooray! What is SureChEMBL, you may ask. Good question! In our portfolio of chemical biology services, alongside our established database of bioactivity data for drug-like molecules ChEMBL , our dictionary of annotated small molecule entities ChEBI , and our compound cross-referencing system UniChem , we also deliver a database of annotated patents! Almost 10 years ago , EMBL-EBI acquired the SureChem system of chemically annotated patents and made this freely accessible in the public domain as SureChEMBL. Since then, our team has continued to maintain and deliver SureChEMBL. However, this has become increasingly challenging due to the complexities of the underlying codebase. We were awarded a Wellcome Trust grant in 2021 to completely overhaul SureChEMBL, with a new UI, backend infrastructure, and new f

Accessing SureChEMBL data in bulk

It is the peak of the summer (at least in this hemisphere) and many of our readers/users will be on holiday, perhaps on an island enjoying the sea. Luckily, for the rest of us there is still the 'sea' of SureChEMBL data that awaits to be enjoyed and explored for hidden 'treasures' (let me know if I pushed this analogy too far). See here and  here for a reminder of SureChEMBL is and what it does.  This wealth of (big) data can be accessed via the SureChEMBL interface , where users can submit quite sophisticated and granular queries by combining: i) Lucene fields against full-text and bibliographic metadata and ii) advanced structure query features against the annotated compound corpus. Examples of such queries will be the topic of a future post. Once the search results are back, users can browse through and export the chemistry from the patent(s) of interest. In addition to this functionality, we've been receiving user requests for  local (behind the