Table 2 Pharmacokinetic and toxicity properties for PubChem-162-396-453, PubChem-162-396-449, PubChem-162-396-448, and nirmatrelvir.
PubChem Code | Absorption (A) | Distribution (D) | Metabolism (M) | Excretion (E) | Toxicity (T) | ||||
|---|---|---|---|---|---|---|---|---|---|
Caco2 permeability | Skin permeability (log Kp) | Blood Brain Barrier (BBB) | CNS permeability (Log PS) | CYP3A4 substrate | CYP3A4 inhibitor | Total Clearance | AMES toxicity | skin sensitization | |
Nirmatrelvir | 0.155 | −3.178 | −0.949 | −3.208 | Yes | No | 0.26 | Yes | No |
PubChem-162-396-453 | 0.206 | −3.142 | −1.006 | −3.389 | Yes | No | 0.424 | No | No |
PubChem-162-396-449 | 0.437 | −2.893 | −1.288 | −4.187 | Yes | No | 0.387 | No | No |
PubChem-162-396-448 | 0.449 | −2.944 | −1.201 | −4.131 | Yes | No | 0.42 | No | No |
