Cp1 | Cp3 | Cp5 | Cp6 | |
---|---|---|---|---|
Absorption | ||||
Caco-2 permeability | − 4.727 | − 4.823 | − 4.859 | − 4.672 |
Pgp-inhibitor | 0.64 Non-inhibitor | 0.959 Non-inhibitor | 0.007 Non-inhibitor | 0.000 Non-inhibitor |
Pgp-substrate | 0.003 Non-substrate | 0.002 Non-substrate | 0.001 | 0.001 Non-substrate |
HIA | 0.719* | 0.513 | 0.351 | 0.815* |
Metabolism | ||||
CYP1A2 inhibitor | 0.206 Non-inhibitor | 0.219 Non-inhibitor | 0.245 Non-inhibitor | 0.508 Non-inhibitor |
CYP1A2 substrate | 0.089 Non-substrate | 0.100 Non-substrate | 0.239 Non-substrate | 0.187 Non-substrate |
CYP2C19 inhibitor | 0.395 Non-inhibitor | 0.060 | 0.326 Non-inhibitor | 0.454 Non-inhibitor |
CYP2C19 substrate | 0.056 Non-substrate | 0.178 Non-substrate | 0.063 Non-substrate | 0.059 Non-substrate |
CYP2C9inhibitor | 0.311 Non-inhibitor | 0.459 Non-inhibitor | 0.159 Non-inhibitor | 0.291 Non-inhibitor |
CYP2C9 substrate | 0.248 Non-substrate | 0.712 Substrate | 0.752 Substrate | 0.965 Substrate |
CYP3A4 inhibitor | 0.487 Non-inhibitor | 0.699 Inhibitor | 0.633 Inhibitor | 0.321 Non-inhibitor |
CYP3A4substrate | 0.147 Non-substrate | 0.162 Non-substrate | 0.103 Non-substrate | 0.05 Non-substrate |
Toxicity | ||||
hERG blockers | 0.194 | 0.292 | 0.349 | 0.142 |
H-HT | 0.052 Negative (−) | 0.029 Negative (−) | 0.082 Negative (−) | 0.052 Negative (−) |
DILI | 0.022 | 0.063 | 0.047 | 0.022 |
AMES toxicity | 0.027 Negative (−) | 0.038 Negative (−) | 0.796 Negative (−) | 0.019 Negative (−) |
Rat oral acute toxicity | 0.035 Low-toxicity | 0.052 Low-toxicity | 0.061 Low-toxicity; | 0.026 Low-toxicity |
Carcinogencity | 0.016 Non-carcinogens | 0.0596 Non-carcinogens | 0.0446 Non-carcinogens | 0.012 Non-carcinogens |