Compound unbound dialysis membrane permeability (Pmem) and physiochemical properties
Physiochemical properties calculated using Advanced Chemistry Development (ACD/Laboratories) Software V11.02 ( 1994–2017 ACD/Laboratories).
| Compound | Pmem (%CV) cm/s × 10−6 | Molecular Weight | pKa (Most Acidic) | pKa (Most Basic) | Molar Intrinsic Solubility µM | LogP | LogD 7.0 | Polar Surface Area A2 |
|---|---|---|---|---|---|---|---|---|
| Amiodarone | 30.5 (8%) | 645.31 | 9.37 | 0.076 | 7.815 | 5.51 | 42.7 | |
| Bedaquiline | n.c. | 555.5 | 13.05 | 9.31 | 0.032 | 7.712 | 5.8 | 45.6 |
| Glecaprevir | 72.1 (21%) | 838.87 | 4.46 | −1.38 | 3.5 | −0.88 | −0.7 | 204 |
| Glyburide | 85.7 (6%) | 494 | 5.11 | −1.63 | 7.9 | 3.076 | 1.22 | 122 |
| Imipramine | 80.9 (23%) | 280.41 | 9.49 | 45 | 4.355 | 2 | 6.48 | |
| Indomethacin | 70.5 (13%) | 357.79 | 3.96 | 17 | 4.251 | 1.29 | 68.5 | |
| Itraconazole | 75.0 (5%) | 705.63 | 6.47 | 0.14 | 4.995 | 4.86 | 101 | |
| Lapatinib | n.c. | 581.06 | 6.34 | 0.0029 | 6.302 | 6.21 | 115 | |
| Nelfinavir | 50.1 (7%)a | 567.78 | 9.58 | 6.21 | 1.5 | 7.278 | 7.25 | 127 |
| Pibrentasvir | n.c. | 1113.18 | 9.76 | 6.33 | 0.088 | 5.812 | 5.73 | 200 |
| Quinidine | 38.2 (8%)a | 324.42 | 12.8 | 9.28 | 450 | 2.823 | 0.62 | 45.6 |
| Sertraline | 164 (8%)a | 306.23 | 9.47 | 17 | 5.079 | 2.7 | 12 | |
| UCN-01 | 91.4 (1%) | 482.53 | 12.25 | 8.93 | 0.18 | 4.983 | 3.07 | 89.7 |
| Venetoclax | 69.2 (32%) | 868.44 | 4.09 | 8.34 | 0.0072 | 8.051 | 3.97 | 183 |
n.c., not calculated owing to lack of reference fu; %CV, interassay %CV calculated from experiments conducted on separated days (n = 2–5 experiments). Average Pmem ± S.D. = 75 ± 35 × 10−6 cm/s2.
↵a Intra-assay %CV calculated from single experiment run in triplicate.