High throughput solubility determination with application to selection of compounds for fragment screening
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 fragme...
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| Veröffentlicht in: | Bioorganic & medicinal chemistry 2008-07, Vol.16 (13), p.6611-6616 |
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| container_end_page | 6616 |
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| container_issue | 13 |
| container_start_page | 6611 |
| container_title | Bioorganic & medicinal chemistry |
| container_volume | 16 |
| creator | Colclough, Nicola Hunter, Alison Kenny, Peter W. Kittlety, Rod S. Lobedan, Lynsey Tam, Kin Y. Timms, Mark A. |
| description | 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. |
| doi_str_mv | 10.1016/j.bmc.2008.05.021 |
| format | Article |
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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.</description><subject>Analysis</subject><subject>Automation</subject><subject>Biological and medical sciences</subject><subject>Drug Evaluation, Preclinical - instrumentation</subject><subject>Drug Evaluation, Preclinical - methods</subject><subject>Fragment screening</subject><subject>Fragment-based drug discovery</subject><subject>General pharmacology</subject><subject>Medical sciences</subject><subject>Molecular Structure</subject><subject>Pharmaceutical Preparations - chemistry</subject><subject>Pharmacology. 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| fulltext | fulltext |
| identifier | ISSN: 0968-0896 |
| ispartof | Bioorganic & medicinal chemistry, 2008-07, Vol.16 (13), p.6611-6616 |
| issn | 0968-0896 1464-3391 |
| language | eng |
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| source | MEDLINE; Elsevier ScienceDirect Journals |
| subjects | Analysis Automation Biological and medical sciences Drug Evaluation, Preclinical - instrumentation Drug Evaluation, Preclinical - methods Fragment screening Fragment-based drug discovery General pharmacology Medical sciences Molecular Structure Pharmaceutical Preparations - chemistry Pharmacology. Drug treatments Physicochemical properties Screening library Solubility Structure–property relationship UV/vis spectroscopy X-Ray Diffraction |
| title | High throughput solubility determination with application to selection of compounds for fragment screening |
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