Drug | Predicted by Vss,u from | Predicted by futa from | Predicted by futb from | Predicted by Simcyp | Obverved Humanc | ||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rat | Dog | Monkey | Average | Rat | Dog | Monkey | Average | Rat | Dog | Monkey | Average | Method 1 | Method 2 | ||
Cefotetan | 0.09 | 0.08 | 0.25 | 0.14 | 0.12 | 0.11 | 0.23 | 0.13 | 0.15 | 0.13 | 0.17 | 0.15 | 0.35 | 0.20 | 0.13 |
Tiludronate | 5.0 | 1.0 | 3.5 | 3.2 | 5.0 | 1.0 | 3.5 | 2.0 | 5.3 | 0.91 | 2.8 | 1.8 | 0.45 | 0.20 | 1.0 |
Captopril | 1.7 | 2.3 | 6.7 | 3.5 | 1.6 | 2.3 | 6.7 | 2.5 | 1.7 | 1.9 | 5.2 | 2.2 | 1.3 | 0.26 | 0.81 |
Cefazolin | 0.17 | 0.06 | 0.20 | 0.14 | 0.18 | 0.09 | 0.18 | 0.13 | 0.21 | 0.13 | 0.13 | 0.14 | 0.28 | 0.21 | 0.11 |
Cefoperazone | 0.07 | 0.05 | 0.30 | 0.14 | 0.11 | 0.08 | 0.24 | 0.11 | 0.16 | 0.13 | 0.14 | 0.14 | 0.27 | 0.21 | 0.14 |
Diclofenac | 0.40 | 0.13 | 0.10 | 0.21 | 0.43 | 0.15 | 0.11 | 0.16 | 0.48 | 0.16 | 0.13 | 0.16 | 1.9 | 0.21 | 0.17 |
Fluvastatin | 0.44 | 1.6 | 3.7 | 1.9 | 0.46 | 1.6 | 3.7 | 0.95 | 0.53 | 1.2 | 2.9 | 0.94 | 3.6 | 0.25 | 0.42 |
Furosemide | 0.13 | 0.04 | 0.05 | 0.07 | 0.14 | 0.07 | 0.07 | 0.08 | 0.17 | 0.12 | 0.11 | 0.10 | 0.30 | 0.21 | 0.11 |
Gemfibrozil | 0.14 | 2.0 | 0.11 | 0.74 | 0.17 | 2.0 | 0.13 | 0.19 | 0.21 | 1.6 | 0.13 | 0.17 | 1.5 | 0.22 | 1.1 |
Indomethacin | 4.3 | 6.5 | 3.1 | 4.7 | 4.2 | 6.5 | 3.1 | 4.2 | 4.4 | 5.5 | 2.4 | 3.6 | 1.8 | 0.23 | 0.93 |
Ketoprofen | 0.15 | 0.05 | 0.07 | 0.09 | 0.18 | 0.08 | 0.10 | 0.10 | 0.23 | 0.13 | 0.14 | 0.14 | 0.34 | 0.23 | 0.13 |
Naproxen | 0.07 | 0.09 | 0.10 | 0.09 | 0.10 | 0.10 | 0.10 | 0.10 | 0.15 | 0.10 | 0.10 | 0.10 | 0.29 | 0.20 | 0.10 |
Troglitazone | 0.60 | 1.2 | 0.84 | 0.86 | 0.62 | 1.1 | 0.83 | 0.81 | 0.7 | 0.92 | 0.66 | 0.74 | 3.0 | 1.1 | 0.71 |
Valproic acid | 0.09 | 0.07 | 0.10 | 0.09 | 0.13 | 0.11 | 0.11 | 0.12 | 0.18 | 0.14 | 0.13 | 0.14 | 0.60 | 0.20 | 0.15 |
Warfarin | 0.26 | 0.05 | 0.13 | 0.15 | 0.27 | 0.09 | 0.12 | 0.12 | 0.29 | 0.13 | 0.11 | 0.11 | 0.38 | 0.20 | 0.11 |
Phenytoin | 0.50 | 0.70 | 5.6 | 2.3 | 0.51 | 0.71 | 5.7 | 0.83 | 0.54 | 0.62 | 4.5 | 0.77 | 0.37 | 0.31 | 1.4 |
Antipyrine | 1.0 | 0.68 | 0.73 | 0.81 | 1.0 | 0.68 | 0.73 | 0.78 | 0.98 | 0.54 | 0.57 | 0.64 | 0.50 | 0.44 | 0.87 |
Caffeine | 1.0 | 0.66 | 0.68 | 0.79 | 1.0 | 0.66 | 0.69 | 0.76 | 0.98 | 0.55 | 0.55 | 0.63 | 0.48 | 0.42 | 0.73 |
Coumarin | 0.67 | 3.8 | 3.1 | 2.5 | 0.69 | 3.8 | 3.1 | 1.4 | 0.74 | 3.2 | 2.5 | 1.4 | 0.45 | 0.31 | 2.2 |
Flunisolide | 3.2 | 3.7 | 3.6 | 3.5 | 3.2 | 3.8 | 3.6 | 3.5 | 3.4 | 3.2 | 2.8 | 3.1 | 0.97 | 0.87 | 1.8 |
Isosorbide dinitrate | 4.9 | 1.9 | 1.5 | 2.8 | 4.8 | 1.9 | 1.5 | 2.1 | 5.0 | 1.6 | 1.2 | 1.8 | 0.59 | 0.51 | 1.9 |
Isosorbide mononitrate | 1.7 | 0.58 | 0.47 | 0.90 | 1.6 | 0.59 | 0.47 | 0.67 | 1.6 | 0.49 | 0.37 | 0.52 | 0.47 | 0.41 | 0.60 |
Lorazepam | 0.63 | 5.4 | 0.69 | 2.2 | 0.65 | 5.5 | 0.71 | 0.94 | 0.70 | 4.6 | 0.60 | 0.87 | 0.72 | 0.57 | 1.3 |
Zidovudine | 1.2 | 0.96 | 1.2 | 1.1 | 1.2 | 0.97 | 1.2 | 1.1 | 1.1 | 0.81 | 0.93 | 0.94 | 0.48 | 0.42 | 1.8 |
Cyclophosphamide | 0.85 | 0.91 | 1.6 | 1.1 | 0.85 | 0.89 | 1.6 | 1.0 | 0.80 | 0.71 | 1.2 | 0.85 | 0.58 | 0.54 | 0.70 |
Felodipine | 82 | 44 | 3.6 | 43 | 80 | 44 | 3.5 | 9.4 | 85 | 37 | 2.8 | 7.3 | 25 | 87 | 9.7 |
Lamivudine | 1.7 | 0.94 | 1.1 | 1.3 | 1.7 | 0.93 | 1.1 | 1.2 | 1.7 | 0.75 | 0.89 | 0.96 | 0.52 | 0.50 | 1.3 |
Midazolam | 0.96 | 1.1 | 0.89 | 0.98 | 0.98 | 1.1 | 0.93 | 0.99 | 1.1 | 0.91 | 0.78 | 0.90 | 2.4 | 2.5 | 1.1 |
Mifepristone | 4.3 | 5.9 | 11 | 7.0 | 4.3 | 6.0 | 11 | 6.1 | 4.5 | 5.1 | 8.6 | 5.6 | 37 | 1029 | 1.5 |
Nifedipine | 3.9 | 1.1 | 0.92 | 2.0 | 3.0 | 1.1 | 0.89 | 1.2 | 1.8 | 0.92 | 0.67 | 0.94 | 9.7 | 16 | 0.78 |
Indinavir | 4.0 | 1.1 | 1.7 | 2.2 | 3.9 | 1.1 | 1.7 | 1.7 | 4.0 | 0.86 | 1.3 | 1.3 | 16 | 37 | 0.82 |
Amiodarone | 62 | 5.3 | 4.1 | 24 | 61 | 5.4 | 4.1 | 6.7 | 65 | 4.5 | 3.3 | 5.5 | 38 | 2127 | 66 |
Biperiden | 18 | 14 | 6.5 | 13 | 18 | 14 | 6.5 | 11 | 19 | 12 | 5.1 | 8.9 | 4.7 | 4.5 | 6.2 |
Bupivacaine | 0.90 | 1.3 | 0.46 | 0.90 | 0.91 | 1.3 | 0.47 | 0.74 | 0.97 | 0.96 | 0.40 | 0.63 | 3.4 | 1.9 | 0.84 |
Chlorpromazine | 56 | 26 | 3.7 | 29 | 55 | 26 | 3.7 | 9.2 | 59 | 22 | 3.0 | 7.4 | 8.7 | 12 | 11 |
Cimetidine | 3.5 | 1.9 | 1.7 | 2.4 | 3.5 | 1.9 | 1.8 | 2.2 | 3.6 | 1.6 | 1.4 | 1.8 | 0.53 | 1.2 | 1.2 |
Citalopram | 17 | 9.9 | 8.7 | 12 | 16 | 10 | 8.8 | 11 | 17 | 8.4 | 6.9 | 9.3 | 3.7 | 6.6 | 14 |
Diltiazem | 3.8 | 17 | 2.0 | 7.4 | 3.7 | 17 | 2.0 | 3.7 | 3.9 | 14 | 1.6 | 3.1 | 11 | 14 | 3.1 |
Erythromycin | 6.6 | 2.0 | 1.1 | 3.2 | 6.5 | 2.0 | 1.1 | 1.9 | 6.9 | 1.7 | 0.84 | 1.5 | 0.82 | 2.1 | 0.89 |
Haloperidol | 11 | 17 | 4.8 | 11 | 11 | 17 | 4.8 | 8.3 | 11 | 14 | 3.8 | 7.0 | 6.2 | 9.1 | 18 |
Hydrodolasetron | 19 | 8.7 | 26 | 18 | 18 | 8.8 | 26 | 14 | 19 | 7.3 | 20 | 13 | 3.7 | 2.0 | 11 |
Imipramine | 9.3 | 4.9 | 9.0 | 7.7 | 9.2 | 5.0 | 9.0 | 7.1 | 9.7 | 4.2 | 7.1 | 6.2 | 4.6 | 6.0 | 13 |
Lidocaine | 2.0 | 1.5 | 0.72 | 1.4 | 2.0 | 1.5 | 0.73 | 1.2 | 2.1 | 1.3 | 0.60 | 0.99 | 1.2 | 2.0 | 1.1 |
Metoprolol | 5.4 | 4.6 | 2.4 | 4.2 | 5.4 | 4.6 | 2.4 | 3.7 | 5.6 | 3.9 | 1.9 | 3.1 | 0.82 | 2.5 | 4.2 |
Propafenone | 6.3 | 5.6 | 4.5 | 5.5 | 6 | 5.6 | 4.5 | 5.4 | 7 | 4.7 | 3.6 | 4.6 | 2.4 | 1.2 | 2.2 |
Propranolol | 4.0 | 2.4 | 5.6 | 4.0 | 3.9 | 2.4 | 5.6 | 3.5 | 4.2 | 2.0 | 4.4 | 3.1 | 2.0 | 1.6 | 3.6 |
Venlafaxine | 9.6 | 3.3 | 3.5 | 5.5 | 9.4 | 3.3 | 3.5 | 4.3 | 9.8 | 2.8 | 2.7 | 3.6 | 2.8 | 1.1 | 4.4 |
Verapamil | 3.4 | 5.2 | 4.0 | 4.2 | 3.4 | 5.2 | 4.0 | 4.1 | 3.6 | 4.4 | 3.2 | 3.6 | 4.6 | 3.2 | 3.7 |
Disopyramide | 4.6 | 1.7 | 1.9 | 2.7 | 4.5 | 1.7 | 1.9 | 2.2 | 4.8 | 1.4 | 1.5 | 1.9 | 1.5 | 2.4 | 0.78 |
Imatinib | 10 | 7.8 | 12 | 10 | 10 | 7.8 | 12 | 9.8 | 11 | 6.6 | 9.7 | 8.6 | 1.7 | 6.2 | 3.9 |
Irinotecan | 3.7 | 3.3 | 1.8 | 2.9 | 3.7 | 3.2 | 1.8 | 2.6 | 3.9 | 2.5 | 1.4 | 2.2 | 3.9 | 6.2 | 3.8 |
Nicardipine | 2.0 | 1.5 | 1.1 | 1.5 | 1.9 | 1.5 | 1.1 | 1.4 | 2.0 | 1.2 | 0.89 | 1.2 | 18 | 38 | 0.64 |
Nicotine | 4.7 | 3.3 | 1.5 | 3.2 | 4.7 | 3.3 | 1.5 | 2.5 | 4.8 | 2.8 | 1.2 | 2.0 | 0.66 | 0.92 | 2.6 |
Quinidine | 5.9 | 7.7 | 1.6 | 5.1 | 5.9 | 7.7 | 1.5 | 3.1 | 6.2 | 6.4 | 1.1 | 2.4 | 1.6 | 3.6 | 3.0 |
Vinblastine | 17 | 7.1 | 1.7 | 8.7 | 17 | 7.0 | 1.7 | 3.7 | 18 | 5.7 | 1.3 | 2.9 | 38 | 1625 | 24 |
Cefpiramide | 0.02 | 0.03 | 0.18 | 0.07 | 0.06 | 0.07 | 0.14 | 0.07 | 0.11 | 0.12 | 0.09 | 0.13 | 0.26 | 0.66 | 0.11 |
Ciprofloxacin | 6.5 | 2.5 | 2.6 | 3.8 | 6.4 | 2.5 | 2.6 | 3.2 | 6.6 | 2.1 | 2.0 | 2.6 | 0.93 | 0.43 | 2.3 |
Doxorubicin | 49 | 62 | 26 | 45 | 48 | 62 | 26 | 40 | 51 | 52 | 20 | 34 | 0.39 | 13 | 25 |
Gabapentin | 1.4 | 0.16 | 0.68 | 0.76 | 1.4 | 0.15 | 0.68 | 0.31 | 1.4 | 0.10 | 0.53 | -0.22 | 0.73 | 0.76 | 0.82 |
Lamifiban | 0.25 | 0.79 | 0.27 | 0.44 | 0.25 | 0.79 | 0.27 | 0.33 | 0.15 | 0.63 | 0.22 | 0.40 | 0.52 | 0.90 | 0.29 |
Levofloxacin | 3.4 | 1.1 | 1.7 | 2.1 | 3.4 | 1.1 | 1.7 | 1.7 | 3.5 | 0.94 | 1.3 | 1.4 | 1.3 | 4.2 | 1.2 |
Methotrexate | 0.20 | 0.36 | 0.70 | 0.42 | 0.23 | 0.37 | 0.72 | 0.35 | 0.25 | 0.33 | 0.60 | 0.33 | 0.33 | 0.24 | 0.67 |
Morphine | 2.6 | 3.8 | 12 | 6.3 | 2.6 | 3.8 | 12 | 4.1 | 2.7 | 3.2 | 9.7 | 3.8 | 0.52 | 1.4 | 3.3 |
Naltrexone | 3.6 | 14 | 4.1 | 7.2 | 3.5 | 14 | 4.1 | 5.0 | 3.7 | 12 | 3.2 | 4.5 | 1.7 | 4.8 | 7.6 |
Telmisartan | 0.86 | 0.45 | 0.58 | 0.63 | 0.88 | 0.49 | 0.61 | 0.62 | 0.97 | 0.47 | 0.53 | 0.58 | 4.3 | 0.40 | 5.3 |
Topotecan | 1.8 | 5.9 | 1.5 | 3.1 | 1.7 | 5.8 | 1.5 | 2.1 | 1.6 | 4.6 | 1.2 | 1.7 | 0.49 | 1.2 | 1.8 |
Verlukast | 0.19 | 0.01 | 0.12 | 0.11 | 0.22 | 0.05 | 0.14 | 0.07 | 0.28 | 0.11 | 0.17 | 0.12 | 0.31 | 0.23 | 0.11 |