Table 7.
Heat maps of NEU-1117, 18, 49, and 57a.
| Targeted Value | NEU-1117 | 18 | 49 | 57a | |
|---|---|---|---|---|---|
| T.b.b. pEC50 | >7.5 | 8.1 | 7.6 | 7.1 | 6.4 |
| MRC5 pTC50 | <5 | 5.1 | 4.3 | 4.3 | 4.3 |
| MW | ≤360 | 360.4 | 330.34 | 308.3 | 270.3 |
| cLogP | ≤3 | 2.6 | 2.7 | 2.0 | 1.1 |
| LogD (7.4) | ≤2 | >4 | >4.3 | 2.8 | 1.7 |
| LLE | ≥4 | 5.5 | 4.9 | 5.1 | 5.3 |
| MPO Score | ≥4 | 3.9 | 3.9 | 4.2 | 4.1 |
| Aq. sol. (μM) | >10 | 1 | 3 | 13 | 861 |
| HLM Clint (μg/min/mg protein) | <9 | 23.6 | 108 | nd* | 25 |
| Rat Hepatocyte Clint (μg/min/106 cells) | <5 | 41.4 | 12.4 | 52 | 20.3 |
| PPB (%) | ≤95 | >99 | nd | 88 | 89 |
nd = no data.
*
Compound was cleared too rapidly for detection.