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. 2023 Mar 20;13(14):9281–9303. doi: 10.1039/d3ra00297g

The absorption and distribution properties prediction of isatin-based Schiff bases 3b and 5a–c.

Properties 3b 5a 5b 5c
Absorption
Caco-2 permeability (log cm s−1) −4.781/graphic file with name d3ra00297g-u25.jpg −4.699/graphic file with name d3ra00297g-u26.jpg −4.842/graphic file with name d3ra00297g-u27.jpg −4.827/graphic file with name d3ra00297g-u28.jpg
MDCK permeability (cm s−1) 1.7 × 10−5/graphic file with name d3ra00297g-u29.jpg 2.1 × 10−5/graphic file with name d3ra00297g-u30.jpg 1.6 × 10−5/graphic file with name d3ra00297g-u31.jpg 1.4 × 10−5/graphic file with name d3ra00297g-u32.jpg
P-glycoprotein-inhibitor 0.013/graphic file with name d3ra00297g-u33.jpg 0.001/graphic file with name d3ra00297g-u34.jpg 0.304/graphic file with name d3ra00297g-u35.jpg 0.799/graphic file with name d3ra00297g-u36.jpg
P-glycoprotein-substrate 0.017/graphic file with name d3ra00297g-u37.jpg 0.003/graphic file with name d3ra00297g-u38.jpg 0.001/graphic file with name d3ra00297g-u39.jpg 0.001/graphic file with name d3ra00297g-u40.jpg
Distribution
Plasma protein binding (PPB, %) 100.3/graphic file with name d3ra00297g-u41.jpg 98.68/graphic file with name d3ra00297g-u42.jpg 100.6/graphic file with name d3ra00297g-u43.jpg 100.8/graphic file with name d3ra00297g-u44.jpg
Fraction unbound in plasma (FU, %) 1.268/graphic file with name d3ra00297g-u45.jpg 2.537/graphic file with name d3ra00297g-u46.jpg 1.423/graphic file with name d3ra00297g-u47.jpg 1.586/graphic file with name d3ra00297g-u48.jpg
Volume distribution (VD, L kg−1) 0.987/graphic file with name d3ra00297g-u49.jpg 1.964/graphic file with name d3ra00297g-u50.jpg 0.476/graphic file with name d3ra00297g-u51.jpg 0.39/graphic file with name d3ra00297g-u52.jpg