Table 2.
Drug | Maximum ΔSolubility [M] a |
Maximum Δlog P b |
Pharmacokinetics | Pharmacodynamic effects |
---|---|---|---|---|
Sulfamethoxazole | 0.816 | -0.93 | Increased excretion | in vitro synergy |
Trimethoprim | -1.613 | 1.46 | Decreased excretion | in vitro synergy |
Nitrofurantoin | 0.046 | -1.56 | Increased excretion | in vitro interaction |
Ciprofloxacin | 0.084 | -0.94 | No effect | in vitro synergy |
Amoxicillin | 0.899 | -1.28 | - | - |
UTI: urinary tract infection.
Solubility shift as calculated from the Henderson-Hasselbach except in the case of trimethoprim which reaches pHmax when solution pH = 6.
The log D calculator implemented in Marvin predicts Log D of a molecule based on the atomic log P increment of its constituent atoms as per Viswanadhan et al. 71