Physiochemical properties and observed and predicted biliary excretion of 25 literature compounds in BDC rats
| Compound | PSA | ΔGsolv aq | Acid (Presence) | Observation | Prediction |
|---|---|---|---|---|---|
| ?2 | kcal/mol | % dose | % dose | ||
| BMS-182874 | 76.7 | −16.7 | − | 0.9 | −1.2 |
| BMS-187345 | 87.5 | −20.4 | − | 4.5 | 3.5 |
| BMS-387032 | 75.6 | −22.1 | − | 11.0 | 2.7 (2.8) |
| Cephradine | 115.68 | −29.5 | + | 27.3 | 65.7 |
| Dasatinib | 100.6 | −35.5 | − | 9.6 | 15.9 |
| Digitoxin | 185.4 | −45.2 | − | 53.7 | 43.9 |
| Digoxin | 205.9 | −50.9 | − | 59.0 | 52.4 |
| DNP-NAC | 147.8 | −19.8 | + | 42.0 | 69.3 |
| EPE-glucuronide | 120.2 | −25.2 | + | 64.5 | 65.9 |
| Erythromycin | 179.9 | −40.4 | − | 34.0 | 39.6 |
| Estradiol-17β-glucuronide | 141.9 | −32.2 | + | 87.0 | 75.7 |
| Fexofenadine | 80.4 | −27.8 | + | 69.8 | 57.7 |
| Irinotecan (lactone form) | 106.9 | −29.4 | − | 7.0 | 14.9 |
| Irinotecan (carboxylate form) | 134.6 | −41.3 | + | 59.8 | 79.3 |
| Lissamine fast yellow | 169.6 | −47.4 | + | 90.0 | 91.6 |
| Methotrexate | 199.2 | −47.4 | + | 72.0 | 98.9 |
| 7-Hydroxymethotrexate | 220.2 | −53.0 | + | 72.0 | 107.5 |
| Olmesartan | 143.1 | −23.0 | + | 83.0 | 70.1 |
| Ouabain | 202.9 | −58.2 | − | 55.0 | 56.7 |
| Paclitaxel | 190.6 | −44.1 | − | 11.5 | 44.5 |
| Phenolphthalein glucuronide | 174.7 | −38.9 | + | 82.0 | 87.7 |
| Pravastatin (carboxylate form) | 130.3 | −28.2 | + | 80.0 | 68.2 |
| Sitagliptin | 65.0 | −28.3 | − | 16.4 | 4.0 |
| Vinblastine | 130.7 | −26.4 | − | 30.0 | 18.9 |
| Vincristine | 144.5 | −36.0 | − | 42.6 | 27.2 |
BMS-187345, 5-methylamino-N-(3,4-dimethyl-5-isoxaxolyl)-1-naphthalene sulfonamide; BMS-387032, N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4 piperidinecarboxamide; DNP-NAC, S-2,4-dinitrophenyl-N-acetylcystein; EPE, 1-(2′-ethylphenyl)ethanol.