Table 13.
ADMET properties the compounds 1-6.
| Compounds | In vivo blood-brain barrier penetration (C. brain/C. blood)a |
In vitro Caco-2 cell permeability (nm/sec)b |
In vitro plasma protein binding (%)c |
In vitro MDCK cell permeability (nm/sec)d |
Human intestinal absorption (HIA, %)e | Toxicityf |
|---|---|---|---|---|---|---|
| Apigenin-7-glucoside (1) | 0.0373 | 7.2167 | 73.4332 | 0.6424 | 47.1059 | Negative |
| Luteolin-7-glucoside (2) | 0.0336 | 4.8722 | 73.2796 | 0.7567 | 25.1651 | Negative |
| Ampicillin (3) | 0.0588 | 0.6307 | 36.1547 | 0.9376 | 81.4785 | Negative |
| Ascorbic acid (4) | 0.1173 | 2.4836 | 5.3035 | 0.8819 | 33.1572 | Negative |
| Gefitinib (5) | 0.0476 | 54.1474 | 80.7309 | 0.07737 | 96.6375 | Negative |
| Tamoxifen (6) | 14.1639 | 49.5448 | 94.7448 | 69.8462 | 100 | Negative |
aBlood − brain barrier (BBB) penetration = [brain]/[blood]; bCaco-2 cells are derived from human colon adenocarcinoma and possess multiple drug transport pathways through intestinal epithelium; c% of drug binds to plasma protein; dMDCK cell system used as tool for rapid permeability screening; ehuman intestinal absorption is the sum of bioavailability and absorption evaluated from ratio of excretion or cumulative excretion in urine, bile, and feces; fin vitro Ames test by metabolic and nonmetabolic activated TA100 and TA1535 strains collected from rat liver homogenate.