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Structural and Physicochemical Features of Oral PROTACs

30 Jul 2024

Abstract excerpt

pharmacokinetic properties in mouse, rat, and dog of four clinical oral PROTACs and compare with an internally derived data set. We use NMR to determine 3D molecular conformations and structural preorganization free in solution, and we introduce the new experimental descriptors, solvent-exposed H-bond donors (eHBD), and acceptors (eHBA). We derive an upper limit of eHBD ≤ 2 for oral PROTACs in apolar environments...

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PMID: 39078401
DOI: 10.1021/acs.jmedchem.4c01017

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