Compd | Absorption | Distribution b | Metabolism b | Excretion | Toxicity | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|
HIA%a | Caco2 permeability | VDss (log L/Kg)b | BBB permeability | CYP3A4 inhibition | CYP2D6 inhibition | CYP2C9 inhibition | CYP2C19 inhibition | Total Clearance | Oral Rat Acute Toxicity (LD50) | Oral Rat Chronic Toxicity (LOAEL) | Hepatotoxicity | |
4a | 94.967 | 0.485 | 0.279 | − 0.009 | No | No | No | No | 0.358 | 2.52 | 1.416 | No |
4b | 90.284 | 1.017 | 0.177 | − 0.553 | No | No | No | No | 0.373 | 2.593 | 1.873 | No |
4c | 93.421 | 0.485 | 0.344 | − 0.474 | Yes | No | Yes | Yes | − 0.297 | 2.655 | 1.7 | No |
4d | 93.353 | 0.857 | 0.358 | − 0.483 | Yes | No | Yes | Yes | − 0.318 | 2.666 | 1.689 | No |
4e | 86.268 | 1.115 | 0.554 | − 0.614 | No | No | No | No | 0.832 | 2.866 | 0.392 | No |
4f | 93.633 | 0.479 | 0.383 | − 0.475 | Yes | No | Yes | Yes | − 0.286 | 2.637 | 1.669 | No |
4g | 93.566 | 0.471 | 0.397 | − 0.484 | Yes | No | Yes | Yes | − 0.307 | 2.647 | 1.659 | No |
4h | 93.719 | 0.48 | 0.343 | − 0.479 | Yes | No | Yes | Yes | − 0.164 | 2.595 | 1.674 | No |
4i | 93.719 | 0.48 | 0.343 | − 0.479 | Yes | No | Yes | Yes | − 0.164 | 2.595 | 1.674 | No |
4j | 100 | 0.709 | 0.215 | − 0.539 | Yes | No | Yes | Yes | 0.408 | 2.535 | 1.768 | No |
4k | 99.164 | 0.719 | 0.056 | − 0.736 | Yes | No | Yes | Yes | 0.189 | 2.678 | 1.616 | No |
4l | 99.164 | 0.733 | 0.056 | − 0.736 | Yes | No | Yes | Yes | − 0.736 | 2.697 | 1.616 | No |
4m | 99.257 | 0.713 | 0.207 | − 0.703 | Yes | No | Yes | Yes | − 0.155 | 2.752 | 1.578 | No |