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Discovery solubility measurement and assessment of small molecules with drug development in mind

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DRUG DISCOVERY TODAY
卷 27, 期 5, 页码 1315-1325

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ELSEVIER SCI LTD
DOI: 10.1016/j.drudis.2022.01.017

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Solubility approach; Drug discovery; Early drug development; Experimental design; Data interpretation

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Solubility is a crucial property for the success of drug candidates. However, there is a boundary between drug discovery and drug development that hinders effective sharing of solubility knowledge and data integration. It is essential to have a seamless understanding of solubility as a molecule progresses from a new chemical entity to a drug product.
Solubility is a key physicochemical property for the success of any drug candidate. Although the methods used and their rationales for determining solubility are subject to project needs and stages along the drug discovery-drug development pipeline, an artificial boundary can exist at the discovery-development interface. This boundary results in less effective solubility knowledge sharing and data integration among scientists in both drug discovery and drug development. Herein, we present a refreshed perspective on solubility. Solubility experimentation is not a one-size-fits-all measurement; instead, we stress the importance of constructing a seamless solubility under-standing of a molecule as it progresses from a new chemical entity into a drug product.

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