Journal of Medicinal Chemistry· 2014Q1
Rings in Drugs
- 2,474citations
- Q1SCImago
- 2014year
Short summary
Analysis of FDA Orange Book drugs reveals only 351 ring systems and 1197 frameworks, with an average of six new ring systems entering drug space annually, and 83% of frequently used systems predating 1983.
AI-generated from the title and abstract; the full text is not read.
Key points
- Only 351 ring systems and 1197 frameworks are present in drugs listed in the FDA Orange Book.
- An average of six new ring systems enter drug space annually.
- Approximately 28% of new drugs contain a new ring system.
- The majority (83%) of frequently used ring systems were first employed in drugs developed before 1983.
AI-generated from the title and abstract; the full text is not read.
Abstract
We have analyzed the rings, ring systems, and frameworks in drugs listed in the FDA Orange Book to understand the frequency, timelines, molecular property space, and the application of these rings in different therapeutic areas and target classes. This analysis shows that there are only 351 ring systems and 1197 frameworks in drugs that came onto the market before 2013. Furthermore, on average six new ring systems enter drug space each year and approximately 28% of new drugs contain a new ring system. Moreover, it is very unusual for a drug to contain more than one new ring system and the majority of the most frequently used ring systems (83%) were first used in drugs developed prior to 1983. These observations give insight into the chemical novelty of drugs and potentially efficient ways to assess compound libraries and develop compounds from hit identification to lead optimization and beyond.
The authors' abstract, as published at the source. Journal of Medicinal Chemistry, 2014 · DOI ↗
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Field: Computational Theory and Mathematics
Computational Theory and MathematicsComputer Science