ArticleJournal of medicinal chemistry2021
Target-Based Evaluation of "Drug-Like" Properties and Ligand Efficiencies.
Article in Journal of medicinal chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 52 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
52 citing papers in PubMed.
- The impact of reward scalarization and weight scheduling on optimization dynamics in multi-objective molecular design.Journal of cheminformatics · 2026Article
- Deep Learning for Anticancer Drug Discovery Targeting Non-Apoptotic Regulated Cell Death Mechanisms.Pharmaceuticals (Basel, Switzerland) · 2026Review
- Fragment-based discovery of TopBP1 inhibitors integrated with AI-driven molecular docking.Magnetic resonance letters · 2026Article
- Quantum-Chemical Multiligand Simultaneous Docking of Three-Membered Rings in the Active Site of Butyrylcholinesterase.Current issues in molecular biology · 2026Article
- iRGD-functionalized PLGA nanocomplex co-loaded with paclitaxel and Trametes robiniophila Murr for targeted inhibition of chemoresistant and metastatic signaling gene PDCD4 in colon cancer.BMC pharmacology & toxicology · 2026Article
- In Silico Profiling of Phytochemicals for Modulating Amyloid Beta-Mediated Immune Regulation and Neuroinflammation in Alzheimer's Disease.ACS omega · 2026Article
- Multi-omics integration in deciphering non-small cell lung cancer drug resistance: current status, challenges, and future prospects.Hereditas · 2026Review
- Virtual screening of marine coumarins and xanthenes identifies novel acid-suppressive leads targeting histamine H₂ receptor and gastric proton pump.Biomolecules & biomedicine · 2026Article
- AI-driven peptide discovery for endometrial cancer: deep generative modeling and molecular simulation in the big data era.Journal of computer-aided molecular design · 2026Article
- Chemoinformatic Approaches to Identify Bioactive Inhibitors Against Type I Dehydroquinase (DHQ1) Enzyme of TyphoidalBioinformatics and biology insights · 2026Article
- MetAP DB and Metal-FP: a database and fingerprint framework for advancing metal-based drug discovery.Journal of computer-aided molecular design · 2025Article
- The Evolving Role of In Vitro-In Vivo Correlation in Model-Informed Drug Development: A Multi-Stakeholder Perspective.CPT: pharmacometrics & systems pharmacology · 2025Article
- Synthesis, Antiprotozoal Activity, and Physicochemical Evaluation of Benzamido-Menadione Derivatives.International journal of molecular sciences · 2025Article
- The changing landscape of medicinal chemistry optimization.Nature reviews. Drug discovery · 2025Review
- 1-Nitro-2-Phenylethane as a Multitarget Candidate for Cognitive and Psychiatric Disorders: Insights from In Silico and Behavioral Approaches.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Drug and Clinical Candidate Drug Data in ChEMBL.Journal of medicinal chemistry · 2025Review
- A Data-Driven Perspective on Bioisostere Evaluation: Mapping the Benzene Bioisostere Landscape with BioSTAR.Journal of medicinal chemistry · 2025Review
- Article
- Structure-Based Design of Small-Molecule Inhibitors of Human Interleukin-6.Molecules (Basel, Switzerland) · 2025Article
- druglikeFilter 1.0: An AI powered filter for collectively measuring the drug-likeness of compounds.Journal of pharmaceutical analysis · 2025Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
7 authors.
Funding
Abstract
Physicochemical descriptors commonly used to define "drug-likeness" and ligand efficiency measures are assessed for their ability to differentiate marketed drugs from compounds reported to bind to their efficacious target or targets. Using ChEMBL version 26, a data set of 643 drugs acting on 271 targets was assembled, comprising 1104 drug-target pairs having ≥100 published compounds per target. Taking into account changes in their physicochemical properties over time, drugs are analyzed according to their target class, therapy area, and route of administration. Recent drugs, approved in 2010-2020, display no overall differences in molecular weight, lipophilicity, hydrogen bonding, or polar surface area from their target comparator compounds. Drugs are differentiated from target comparators by higher potency, ligand efficiency (LE), lipophilic ligand efficiency (LLE), and lower carboaromaticity. Overall, 96% of drugs have LE or LLE values, or both, greater than the median values of their target comparator compounds.
Indexed as
Identifiers
What OpenQuestion holds
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.