Table 5. ADMET Predicted Profile (Classification data).
| Established CID: | 24889392 | 24889392 | Virtual Screened CID: | 44598530 | |
| Model Absorption | Result | Probability | Probability | Result | Probability |
| Blood-Brain Barrier | BBB+ | 0.6667 | 0.6667 | BBB+ | 0.5054 |
| Human Intestinal Absorption | HIA+ | 0.9953 | 0.9953 | HIA+ | 0.9709 |
| Caco-2 Permeability | Caco2- | 0.6097 | 0.6097 | Caco2- | 0.5795 |
| P-glycoprotein Substrate | Substrate | 0.8191 | 0.8191 | Substrate | 0.8336 |
| P-glycoprotein Inhibitor | Inhibitor | 0.6701 | 0.6701 | Inhibitor | 0.7209 |
| Non-inhibitor | 0.5257 | 0.5257 | Inhibitor | 0.6238 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.7678 | 0.7678 | Non-inhibitor | 0.698 |
| Distribution | |||||
| Subcellular localization | Mitochondria | 0.5108 | 0.5108 | Mitochondria | 0.3781 |
| Metabolism | |||||
| CYP450 2C9 Substrate | Non-substrate | 0.7672 | 0.7672 | Non-substrate | 0.647 |
| CYP450 2D6 Substrate | Non-substrate | 0.7552 | 0.7552 | Non-substrate | 0.7158 |
| CYP450 3A4 Substrate | Substrate | 0.7028 | 0.7028 | Substrate | 0.6679 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.7846 | 0.7846 | Non-inhibitor | 0.7466 |
| CYP450 2C9 Inhibitor | Inhibitor | 0.5216 | 0.5216 | Non-inhibitor | 0.5854 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.8896 | 0.8896 | Non-inhibitor | 0.8742 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.5837 | 0.5837 | Non-inhibitor | 0.6634 |
| CYP450 3A4 Inhibitor | Inhibitor | 0.6802 | 0.6802 | Inhibitor | 0.5338 |
| CYP Inhibitory Promiscuity | High CYP Inhibitory Promiscuity | 0.6105 | 0.6105 | High CYP Inhibitory Promiscuity | 0.5361 |
| Toxicity | |||||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.7897 | 0.7897 | Weak inhibitor | 0.7319 |
| Inhibitor | 0.7464 | 0.7464 | Inhibitor | 0.8014 | |
| AMES Toxicity | Non AMES toxic | 0.5521 | 0.5521 | Non AMES toxic | 0.5673 |
| Carcinogens | Non-carcinogens | 0.7503 | 0.7503 | Non-carcinogens | 0.6483 |
| Fish Toxicity | High FHMT | 0.9946 | 0.9946 | High FHMT | 0.9917 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.9585 | 0.9585 | High TPT | 0.9316 |
| Honey Bee Toxicity | Low HBT | 0.6523 | 0.6523 | Low HBT | 0.6905 |
| Biodegradation | Not ready biodegradable | 1 | 1 | Not ready biodegradable | 0.9937 |
| Acute Oral Toxicity | III | 0.6144 | 0.6144 | III | 0.5688 |
| Carcinogenicity (Three-class)Non-required | 0.5287 | 0.5287 | Non-required | 0.5686 |