ArticleActa pharmacologica Sinica2016
Investigation of miscellaneous hERG inhibition in large diverse compound collection using automated patch-clamp assay.
Article in Acta pharmacologica Sinica, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 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
17 citing papers in PubMed, 52 citations in OpenAlex.
- MolPrompt: improving multi-modal molecular pre-training with knowledge prompts.Bioinformatics (Oxford, England) · 2025Article
- Discovery of Novel Pyrido[2,3-b]Pyrazine Human Cytomegalovirus Polymerase Inhibitors with Broad Spectrum Antiherpetic Activity and Reduced hERG Inhibition.ChemMedChem · 2025Article
- hERGAT: predicting hERG blockers using graph attention mechanism through atom- and molecule-level interaction analyses.Journal of cheminformatics · 2025Article
- Structural Alterations of the "Address" Moiety of NAN Leading to the Discovery of a Novel Opioid Receptor Modulator with Reduced hERG Toxicity.Journal of medicinal chemistry · 2023Article
- On QSAR-based cardiotoxicity modeling with the expressiveness-enhanced graph learning model and dual-threshold scheme.Frontiers in physiology · 2023Article
- Ensemble of structure and ligand-based classification models for hERG liability profiling.Frontiers in pharmacology · 2023Article
- Preclinical Characterization and Development on NAQ as a Mu Opioid Receptor Partial Agonist for Opioid Use Disorder Treatment.ACS pharmacology & translational science · 2022Article
- New Insights into Ion Channels: Predicting hERG-Drug Interactions.International journal of molecular sciences · 2022Article
- The Effect of a Synthetic Estrogen, Ethinylestradiol, on the hERG Block by E-4031.Biomolecules · 2021Article
- Discovery of Investigational Drug CT1812, an Antagonist of the Sigma-2 Receptor Complex for Alzheimer's Disease.ACS medicinal chemistry letters · 2021Article
- A Pooled Analysis of Three Randomized Phase I/IIa Clinical Trials Confirms Absence of a Clinically Relevant Effect on the QTc Interval by Umibecestat.Clinical and translational science · 2020Article
- A structure-based computational workflow to predict liability and binding modes of small molecules to hERG.Scientific reports · 2020Article
- Article
- Computational Assessment of the Pharmacological Profiles of Degradation Products of Chitosan.Frontiers in bioengineering and biotechnology · 2019Article
- The High Cost of Stroke and Stroke Cytoprotection Research.Translational stroke research · 2017Review
- Compilation and physicochemical classification analysis of a diverse hERG inhibition database.Journal of computer-aided molecular design · 2016Article
- Ion channels research in the post-genomic era.Acta pharmacologica Sinica · 2016Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors at 3 institutions in 2 countries.
Funding
Abstract
aimhERG potassium channels display miscellaneous interactions with diverse chemical scaffolds. In this study we assessed the hERG inhibition in a large compound library of diverse chemical entities and provided data for better understanding of the mechanisms underlying promiscuity of hERG inhibition.
methodsApproximately 300 000 compounds contained in Molecular Library Small Molecular Repository (MLSMR) library were tested. Compound profiling was conducted on hERG-CHO cells using the automated patch-clamp platform-IonWorks Quattro(™).
resultsThe compound library was tested at 1 and 10 μmol/L. IC50 values were predicted using a modified 4-parameter logistic model. Inhibitor hits were binned into three groups based on their potency: high (IC50<1 μmol/L), intermediate (1 μmol/L< IC50<10 μmol/L), and low (IC50>10 μmol/L) with hit rates of 1.64%, 9.17% and 16.63%, respectively. Six physiochemical properties of each compound were acquired and calculated using ACD software to evaluate the correlation between hERG inhibition and the properties: hERG inhibition was positively correlative to the physiochemical properties ALogP, molecular weight and RTB, and negatively correlative to TPSA.
conclusionBased on a large diverse compound collection, this study provides experimental evidence to understand the promiscuity of hERG inhibition. This study further demonstrates that hERG liability compounds tend to be more hydrophobic, high-molecular, flexible and polarizable.
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.