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High throughput solubility determination with application to selection of compounds for fragment screening
Colclough N.; Hunter A.; Kenny P.W.; Kittlety R.S.; Lobedan L.; Tam K.Y.; Timms M.A.
2008-07-01
Source PublicationBioorganic and Medicinal Chemistry
ISSN09680896
Volume16Issue:13Pages:6611-6616
Abstract

The development and application of a high throughput aqueous solubility assay is reported. Measurements for up to 637 compounds can be made in a fully automated experiment. Results from this assay were used to quantify risk of unacceptable solubility as a function of lipophilicity for neutral fragment-like compounds. Assessment of risk of unacceptable solubility was combined with experimental solubility measurement to select compounds for inclusion in a fragment-screening library. © 2008 Elsevier Ltd. All rights reserved.

KeywordAutomation Fragment Screening Fragment-based Drug Discovery Physicochemical Properties Screening Library Solubility Structure-property Relationship Uv/vis Spectroscopy
DOI10.1016/j.bmc.2008.05.021
URLView the original
Indexed BySCI
Language英语
WOS Research AreaBiochemistry & Molecular Biology ; Pharmacology & Pharmacy ; Chemistry
WOS SubjectBiochemistry & Molecular Biology ; Chemistry, Medicinal ; Chemistry, Organic
WOS IDWOS:000256623600018
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Cited Times [WOS]:19   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionFaculty of Health Sciences
AffiliationAstraZeneca
Recommended Citation
GB/T 7714
Colclough N.,Hunter A.,Kenny P.W.,et al. High throughput solubility determination with application to selection of compounds for fragment screening[J]. Bioorganic and Medicinal Chemistry,2008,16(13):6611-6616.
APA Colclough N..,Hunter A..,Kenny P.W..,Kittlety R.S..,Lobedan L..,...&Timms M.A..(2008).High throughput solubility determination with application to selection of compounds for fragment screening.Bioorganic and Medicinal Chemistry,16(13),6611-6616.
MLA Colclough N.,et al."High throughput solubility determination with application to selection of compounds for fragment screening".Bioorganic and Medicinal Chemistry 16.13(2008):6611-6616.
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