Compound No./Generic Name | mol. wt | In Vitro t1/2 | Experimental LogPow | Calculated SlogPowa,b | fup | RB | Base/Neutral | Experimental pKa | Calculated pKaa,b | Swb | pH | Solubility in Dosing Vehicleb,c | pH | Calculated Permeabilitya,b |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
min | mg/ml | mg/ml | 10-4 cm/s | |||||||||||
JNJ1/Domperidone | 425 | 7 | 3.96 | 3.87 | 0.092 | 1.28 | B | 7.89 | 7.73 | 0.057 | 6.0 | 0.250 | 7.5 | 1.5 |
JNJ2/Nebivolol | 405 | 14 | 4.03 | 3.41 | 0.015 | 1.16 | B | 8.40 | 7.95 | 0.031 | 6.1 | 4.71 | 5.4 | 1.0 |
JNJ3/Galantamine | 287 | >60 | 1.09 | 1.92 | 0.755 | 1.04 | B | 8.20 | 7.86 | |||||
JNJ4/Lorcainide | 370 | 2 | 4.16 | 4.53 | 0.260 | 1.20 | B | 9.44 | 8.81 | 192 | 5.9 | 192 | 5.9 | 12 |
JNJ5/Fentanyl | 336 | 2 | 3.94 | 3.94 | 0.166 | 0.891 | B | 8.40 | 8.23 | |||||
JNJ6/Loperamide | 476 | 8 | 5.13 | 5.26 | 0.016 | 0.680 | B | 8.86 | 7.65 | 0.080 | 6.1 | 0.080 | 6.1 | 7.6 |
JNJ7 | 425 | 17 | 2.47 | 2.77 | 0.528 | 1.18 | B | 7.80 | 8.36 | 11.0 | 7.2 | 11.0 | 7.2 | 1.1 |
JNJ8 | 296 | >60 | 1.18 | 0.71 | 0.820 | 1.51 | B | 9.88 | 9.46 | |||||
JNJ9/Cisapride | 465 | 9 | 4.22 | 3.20 | 0.084 | 1.11 | B | 7.90 | 7.32 | 0.100 | 4.0 | 0.100 | 4.0 | 1.5 |
JNJ10/Ketanserin | 395 | >60 | 3.30 | 2.73 | 0.012 | 0.650 | B | 7.50 | 7.07 | |||||
JNJ11/Ritanserin | 477 | 9 | 5.20 | 5.82 | 0.015 | 0.744 | B | 8.20 | 7.36 | 0.037 | 6.1 | 0.037 | 6.1 | 12 |
JNJ12/Risperidone | 410 | 5 | 3.04 | 3.73 | 0.118 | 0.781 | B | 8.24 | 7.61 | 1.80 | 6.2 | 1.80 | 6.2 | 4.5 |
JNJ13/Prucalopride | 367 | 32 | 2.26 | 2.46 | 0.705 | 1.52 | B | 8.50 | 8.45 | 140 | 4.8 | 140 | 4.8 | 1.8 |
JNJ14/Sabeluzole | 415 | 29 | 4.63 | 4.22 | 0.016 | 0.840 | B | 7.80 | 7.66 | 0.190 | 6.0 | 0.190 | 6.0 | 2.7 |
JNJ15/Lubeluzole | 433 | 24 | 4.88 | 4.61 | 0.008 | 0.760 | B | 7.60 | 7.57 | |||||
JNJ16/Draflazine | 603 | >60 | 4.90 | 5.06 | 0.002 | 0.640 | N | 6.60 | 7.36 | |||||
JNJ17 | 660 | 28 | 4.84 | 7.00 | 0.015 | 0.670 | B | 6.80 | 7.16 | 0.520 | 5.0 | 6.26 | 4.4 | 4.5 |
JNJ18/Laniquidar | 584 | 26 | 5.50 | 6.92 | 0.002 | 0.790 | B | 7.90 | 7.50 | 0.005 | 7.0 | 0.017 | 6.8 | 4.6 |
JNJ19 | 410 | 13 | 2.90 | 2.26 | 0.157 | 1.00 | B | 7.61 | 7.29 | 0.829 | 9.3 | 0.829 | 9.3 | 0.83 |
JNJ20 | 359 | 6 | 3.40 | 3.23 | 0.082 | 0.800 | B | 7.00 | 6.47 | 0.520 | 5.0 | 0.520 | 5.0 | 3.8 |
JNJ21 | 380 | 5.24 | 4.17 | 0.007 | 0.640 | B | 7.23 | 8.03 | ||||||
JNJ22/Norcisapride | 313 | >60 | 1.51 | 0.72 | 0.650 | 1.50 | B | 9.10 | 8.66 | |||||
JNJ23/Paliperidone | 426 | 18 | 2.35 | 2.78 | 0.253 | 0.690 | B | 8.24 | 7.55 | 1.70 | 6.2 | 1.70 | 6.2 | 1.7 |
JNJ24 | 481 | 35 | 3.55 | 4.69 | 0.015 | 1.46 | B | 7.27 | 7.53 | 0.003 | 7.5 | 0.500 | 7.5 | 2.6 |
JNJ25 | 686 | >60 | 4.43 | 6.93 | 0.036 | 0.750 | B | 7.20 | 7.52 | |||||
JNJ26 | 554 | 58 | 5.10 | 6.82 | 0.003 | 0.850 | B | 9.00 | 8.27 | 0.001 | 6.0 | 0.500 | 6.0 | 10 |
JNJ27/Alfentanil | 416 | 3 | 2.21 | 2.12 | 0.164 | 0.692 | N | 6.50 | 7.05 | |||||
JNJ28/Sufentanil | 386 | 5 | 4.02 | 3.94 | 0.069 | 0.744 | B | 8.10 | 8.10 | |||||
JNJ29 | 328 | >60 | 4.18 | 4.12 | 0.057 | 1.85 | B | 8.86 | 7.65 | |||||
JNJ30 | 777 | 23 | 4.90 | 4.90 | 0.022 | 0.770 | B | 7.70 | 7.70 | 0.003 | 6.0 | 8.35 | 4.4 | 1.1 |
JNJ31/Mazapertine | 421 | 2 | 3.96 | 5.05 | 0.030 | 0.630 | B | 7.00 | 7.06 | 54.2 | 4.7 | 54.2 | 4.7 | 5.7 |
JNJ32 | 297 | 5 | 4.03 | 3.72 | 0.141 | 1.96 | B | 9.47 | 9.10 | 2.90 | 7.5 | 2.90 | 7.5 | 5.4 |
JNJ33 | 392 | >60 | 2.08 | 2.08 | 0.630 | 1.07 | B | 8.31 | 8.31 | |||||
JNJ34 | 382 | >60 | 1.28 | 1.28 | 0.725 | 1.07 | B | 8.37 | 8.37 | |||||
JNJ35 | 666 | >60 | 2.96 | 5.70 | 0.127 | 0.700 | B | 6.80 | 7.39 | |||||
JNJ36 | 423 | 12 | 1.70 | 2.95 | 0.342 | 0.770 | B | 7.49 | 7.95 | 7.60 | 8.3 | 7.60 | 8.3 | 1.1 |
JNJ37 | 295 | 28 | 4.60 | 4.24 | 0.039 | 1.00 | B | 9.10 | 8.82 | |||||
JNJ38 | 456 | 16 | 5.22 | 4.23 | 0.001 | 1.00 | N | 6.40 | 7.59 | 0.015 | 4.0 | 14.0 | 3.1 | 1.3 |
JNJ39 | 492 | 4 | 3.50 | 3.48 | 0.122 | 0.750 | N | 5.30 | 5.30 | 0.070 | 6.0 | 0.070 | 6.0 | 3.0 |
JNJ40 | 659 | 58 | 4.36 | 5.34 | 0.013 | 0.770 | N | 4.00 | 4.87 | <0.001 | 4.0 | 0.230 | 4.3 | 1.9 |
JNJ41/Itraconazole | 704 | >60 | 5.00 | 5.53 | 0.003 | 0.680 | N | 4.10 | 4.70 | <0.001 | 7.0 | 0.400 | 6.8 | 3.0 |
JNJ42/Mitratapide | 716 | 54 | 4.95 | 6.09 | 0.003 | 0.800 | N | 3.40 | 4.57 | <0.001 | 6.0 | 0.180 | 4.1 | 3.0 |
JNJ43/Rilpivirine | 366 | 27 | 4.80 | 4.14 | 0.001 | 0.630 | N | 5.60 | 3.23 | 0.004 | 6.0 | 4.00 | 4.0 | 0.75 |
JNJ44 | 570 | 8 | 4.78 | 4.06 | 0.001 | 0.740 | N | 4.60 | 4.60 | |||||
JNJ45 | 442 | >60 | 5.13 | 3.76 | 0.001 | 2.50 | N | 5.50 | 6.03 | 0.002 | 6.2 | 0.002 | 6.2 | 5.7 |
JNJ46/Tipifarnib | 488 | 47 | 4.41 | 5.58 | 0.012 | 0.970 | N | 6.15 | 6.35 | 0.002 | 6.0 | 0.002 | 6.0 | 4.7 |
JNJ47 | 440 | >60 | 3.63 | 3.63 | 0.035 | 1.00 | N | 0.006 | 5.6 | 0.580 | 6.3 | 0.63 | ||
JNJ48/Astemizole | 458 | 5 | 5.48 | 0.098 | 1.91 | B | 8.50 | |||||||
JNJ49/Liarozole | 308 | 40 | 3.38 | 0.075 | 0.900 | N | 6.30 | |||||||
JNJ50/Loviride | 350 | 2 | 3.19 |
| 0.028 | 0.720 | N |
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