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 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.
Colclough
Nicola
N
AstraZeneca, Mereside, Alderley Park, Macclesfield, Cheshire SK10 4TG, UK.
Hunter
Alison
A
Kenny
Peter W
PW
Kittlety
Rod S
RS
Lobedan
Lynsey
L
Tam
Kin Y
KY
Timms
Mark A
MA
D004353:Drug Evaluation, Preclinical / Q000295:instrumentation* / Q000379:methods*; D015394:Molecular Structure; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D012995:Solubility; D014961:X-Ray Diffraction
D004364:Pharmaceutical Preparations