Background

This is part of a release of experimental data determined at AstraZeneca on a set of compounds in the following assays: pKa, lipophilicity (LogD7.4), aqueous solubility, plasma protein binding (human, rat, dog , mouse and guinea pig), intrinsic clearance (human liver microsomes, human and rat hepatocytes).

Assay information

Experimental determination of lipophillicity is most commonly carried out using a "shake flask" method where the analyte of interest is dissolved in a bi-phasic mixture of two immiscible liquids and after the system reaches equilibrium the concentrations of the analyte are measured in each phase. Then, the logarithm of the ratio of is taken. The most common solvent system is Octanol/Water which has become the standard experimental measure of lipophilicity in the medicinal chemistry space often called the partition coefficient, Poct/w . Explanation and image from here.

Description of readout:

• LOGD_74: Octan-1-ol/water (pH7.4) distribution coefficent measured by a shake flask method described in J. Biomol. Screen. 2011, 16, 348-355.

Data resource

Reference: https://www.ebi.ac.uk/chembl/document_report_card/CHEMBL3301361/

Raw data: https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3301363/