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• W2317245870 startingPage "4010" @default.
• W2317245870 abstract "Molecular knowledge of hERG blocking liability can offer the possibility of optimizing lead compounds in a way that eliminates potentially lethal side effects. In this study, we computationally designed, synthesized, and tested a small series of “minimally structured” molecules. Some of these compounds were remarkably potent against hERG (6, IC50 = 2.4 nM), allowing us to identify the minimal structural requirements for hERG blocking liability." @default.
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• W2317245870 date "2012-04-06" @default.
• W2317245870 modified "2023-09-26" @default.
• W2317245870 title "Computational Design and Discovery of “Minimally Structured” hERG Blockers" @default.
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• W2317245870 doi "https://doi.org/10.1021/jm201194q" @default.
• W2317245870 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22455383" @default.
• W2317245870 hasPublicationYear "2012" @default.
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