Table 1.
Assessment of the BBB permeability of mefloquine, chloroquine, hydroxychloroquine and quinacrine based on predictive physicochemical properties [78, 79]
| Antimalarial | Molecular weight | PSA (Å2)a | Log D7.4b | Number of N and O atoms | cLogPa | clogP minus (N+O) > 0 |
|---|---|---|---|---|---|---|
| Mefloquine | 377 | 46.7 | 0.5 | 3 | 4.0 | Yes |
| Chloroquinec | 319 | 27.6 | 1.6 | 3 | 5.1 | Yes |
| Hydroxychloroquinec | 335 | 47.9 | 2.0 | 4 | 4.1 | Yes |
| Quinacrine | 399 | 36.9 | 2.3 | 4 | 6.2 | Yes |
aDetermined from ChemDraw Professional, Ver 15
bDetermined from ACD /Labs Version 12
cpKa values of chloroquine are 10.5 and 6.3. pKa values of hydroxychloroquine are 8.9 and 6.3. Determined from ACD/Labs Version 12