Journal
ACS MEDICINAL CHEMISTRY LETTERS
Volume 12, Issue 7, Pages 1056-1060Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsmedchemlett.1c00298
Keywords
bRo5; chameleonicity; intramolecular interaction; permeability; property-based drug design; PROTAC
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To obtain new oral drugs in the beyond "rule of five" space, optimization of molecular properties and design strategies focusing on intramolecular interaction and chameleonicity are essential for degraders like PROTAC in early drug discovery. Tailored revalidation of permeability assessment and prediction methods becomes fundamental in this innovative chemical space.
To obtain new oral drugs in the beyond rule of five space, PROTACs among others, molecular properties should be optimized in early drug discovery. Degraders call for design strategies which focus on intramolecular interaction and chameleonicity. In parallel, tailored revalidation of permeability assessment and prediction methods becomes fundamental in this innovative chemical space.
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