ArticleRSC medicinal chemistry2024
An analysis of the physicochemical properties of oral drugs from 2000 to 2022.
Article in RSC medicinal chemistry, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
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- Synthesis of carbazole and naphthyl-pyrimidine-based inhibitors of Xanthomonas for tomato bacterial spot management.Molecular diversity · 2026Article
- Ethoxy Meso-Modified Heptamethine Cyanine Fluorophores: Synthesis, Photophysical Properties and BSA Sensing Study.Molecules (Basel, Switzerland) · 2026Article
- Integrated In Silico Prioritization of Antidiabetic Phytochemicals fromMolecules (Basel, Switzerland) · 2026Article
- Polyelectrolyte Design Principles for Electrophoretic Drug Delivery.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Peptidomimetic Modified Heptamethine Cyanine Dyes for Enhanced Bioimaging Targetability: A Molecular Interaction Study on Bovine Serum Albumin and Human Parvalbumin.Journal of medicinal chemistry · 2026Article
- Integrative Transcriptomic and Machine Learning Analysis of ecDNA-Associated Features for Studying Chemotherapy Resistance in TNBC.bioRxiv : the preprint server for biology · 2026Article
- Red-shifting squaraine dyes in the near-infrared region using perimidine heterocycles: synthesis and optical properties.RSC advances · 2026Article
- Data-efficient learning for accurate identification of MAPK1 inhibitors using an active meta-deep learning framework.Journal of cheminformatics · 2026Article
- Benchmarking deep learning models for predicting anticancer drug potency (ICCommunications chemistry · 2026Article
- Comprehensive pan-cancer analysis of p62 reveals its contribution to shaping tumor microenvironment and anti-tumor immunity.Discover oncology · 2025Article
- Exploring propolis-derived compounds as quorum sensing inhibitors for Candida albicans: a molecular docking and dynamics simulations study.Scientific reports · 2025Article
- Dimerizing Heptamethine Cyanine Fluorophores from the Meso Position: Synthesis, Optical Properties, and Metal Sensing Studies.Organic letters · 2025Article
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Authors and funding
9 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Calculable physicochemical descriptors are a useful guide to assist compound design in medicinal chemistry. It is well established that controlling size, lipophilicity, hydrogen bonding, flexibility and shape, guided by descriptors that approximate to these properties, can greatly increase the chances of successful drug discovery. Many therapeutic targets and new modalities are incompatible with the optimal ranges of these properties and thus there is much interest in approaches to find oral drug candidates outside of this space. These considerations have been a focus for a while and hence we analysed the physicochemical properties of oral drugs approved by the FDA from 2000 to 2022 to assess if such concepts had influenced the output of the drug-discovery community. Our findings show that it is possible to find drug molecules that lie outside of the optimal descriptor ranges and that large molecules in particular (molecular weight >500 Da) can be oral drugs. The analysis suggests that this is more likely if lipophilicity, hydrogen bonding and flexibility are controlled. Crude physicochemical descriptors are useful in that regard but more accurate and robust means of understanding substructural classes, shape and conformation are likely to be required to improve the chances of success in this space.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.