Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

• Published in: Advanced drug delivery reviews Vol. 64; pp. 4 - 17
• Main Authors: Lipinski, Christopher A., Lombardo, Franco, Dominy, Beryl W., Feeney, Paul J.
• Format: Journal Article
• Language: English
• Published: Kidlington Elsevier B.V 01.12.2012; Elsevier
• Subjects: Biological and medical sciences; Computational alert; General pharmacology; H-Bond donors and acceptors; Medical sciences; MLogP; MWT; Pharmaceutical technology. Pharmaceutical industry; Pharmacology. Drug treatments; Poor absorption or permeation; Rule of 5; Solubility calculation; Thermodynamic solubility; Turbidimetric solubility; Computational alert; Rule of 5; Thermodynamic solubility; MLogP; Poor absorption or permeation; H-Bond donors and acceptors; MWT; Solubility calculation; Turbidimetric solubility; Drug; Pharmaceutical technology; Permeation; Solubility; Permeability; Research and development; Thermodynamics; Absorption; Pharmacokinetics; Physicochemical properties

Experimental and computational approaches to estimate solubility and permeability in discovery and development settings are described. In the discovery setting ‘the rule of 5’ predicts that poor absorption or permeation is more likely when there are more than 5 H-bond donors, 10 H-bond acceptors, th...