title: Poorly soluble marketed drugs display solvation limited solubility.
abstract: We determined the intrinsic aqueous solubility of 15 poorly soluble drugs with solubilities ranging from 2.9 nM to 1.1 microM. We then analyzed the data from a physicochemical perspective, using experimentally determined solid-state properties and easily interpretable two-dimensional molecular descriptors, to better understand the factors underlying poor solubility. The analysis shows that poorly soluble drugs that have reached the market are solubility limited by solvation rather than by their solid state.
authors.affiliation: Pharmaceutical Screening and Informatics, Department of Pharmacy, Uppsala University, Uppsala Biomedical Centre, Post Office Box 580, SE-751 23 Uppsala, Sweden. christel.bergstrom@farmaci.uu.se
authors.forename: Christel A S
authors.initials: CA
authors.lastname: Bergström
authors.forename: Carola M
authors.initials: CM
authors.lastname: Wassvik
authors.forename: Kajsa
authors.initials: K
authors.lastname: Johansson
authors.forename: Ina
authors.initials: I
authors.lastname: Hubatsch
mesh_terms: D002152:Calorimetry, Differential Scanning; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D002851:Chromatography, High Pressure Liquid; D015394:Molecular Structure; D015999:Multivariate Analysis; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D025341:Principal Component Analysis; D012995:Solubility; D053719:Tandem Mass Spectrometry; D013816:Thermodynamics
chemical_list: D004364:Pharmaceutical Preparations