TABLE 1.
Pharmacokinetic profile of the four hit compounds and reference 3144.
| Profile | Compounds | ||||
|---|---|---|---|---|---|
| Hit compound 1 | Hit compound 2 | Hit compound 3 | Hit compound 4 | 3144 | |
| Molecular Weight (MW) | 584.200 | 596.270 | 630.290 | 576.240 | 716.260 |
| nHA | 8 | 8 | 8 | 8 | 8 |
| nHD | 3 | 2 | 2 | 3 | 4 |
| nRot | 7 | 7 | 8 | 7 | 13 |
| TPSA | 95.430 | 86.640 | 86.640 | 95.430 | 87.790 |
| logS | −6.016 | −5.298 | −5.329 | −6.154 | −4.822 |
| Caco-2 Permeability (log unit) | −4.994 | −4.906 | −5.036 | −5.124 | −5.716 |
| MDCK Permeability | 1.7e-05 | 9.8e-06 | 1.2e-05 | 1.5e-05 | 5.1e-06 |
| HIA | — | — | — | — | — |
| F20% | — | — | — | — | — |
| F30% | — | — | — | — | — |
| Volume of distribution (L/kg) | 2.424 | 2.525 | 2.316 | 2.182 | 3.454 |
| T1/2 | .024 | .015 | .013 | .020 | .005 |
| Rat Oral Acute Toxicity | — | — | — | — | — |
| Eye Corrosion | — | — | — | — | — |
| Eye Irritation | — | — | — | — | — |