Table 2. Pharmacokinetic Parameters for the Ligands I–VIIIa.
| ligand | Pgpi (%) | Pgps (%) | HIA (%) | F30 (%) | BBB (%) | T1/2 (h) | CL (h) | hERG (%) | H-HT (%) |
|---|---|---|---|---|---|---|---|---|---|
| I | 27.00 | 3.70 | 76.30 | 34.60 | 95.30 | 1.72 | 1.45 | 37.80 | 17.40 |
| II | 58.80 | 2.80 | 70.00 | 45.00 | 93.90 | 1.54 | 1.87 | 36.50 | 43.00 |
| III | 84.10 | 8.70 | 80.8 | 40.90 | 65.90 | 1.96 | 1.16 | 44.20 | 48.40 |
| IV | 38.70 | 17.50 | 71.60 | 46.00 | 86.00 | 1.62 | 1.75 | 34.50 | 46.00 |
| V | 40.90 | 4.00 | 74.70 | 33.30 | 93.30 | 1.67 | 1.57 | 36.90 | 29.80 |
| VI | 41.20 | 7.00 | 71.60 | 31.80 | 89.80 | 1.74 | 1.64 | 34.70 | 43.60 |
| VII | 71.60 | 11.40 | 71.70 | 40.50 | 35.60 | 1.94 | 1.27 | 38.90 | 44.60 |
| VIII | 47.50 | 34.50 | 78.90 | 39.20 | 22.90 | 1.69 | 1.61 | 38.00 | 35.80 |
a
Notation: P-glycoprotein inhibitor (Pgpi), P-glycoprotein substrate (Pgps), gastrointestinal absorption (HIA), bioavailability (F30), probability of crossing the blood-brain barrier (BBB), half lifetime (T1/2), clearance rate (CL), human ether-a-go-go-related gene channel blocker (hERG), and human hepatotoxicity (H-HT).