TABLE 1.
Initial screening of central cores and zinc binding groups.
| |||||||
|---|---|---|---|---|---|---|---|
| Cmpd | Core | ZBG | hATX IC50 [nM] | LogD (pH 7.4) | Solubility [µg/mL], pH 6.5 | Mic CL h/m/r [µL/m/mg prot] | GSH adducts |
| 1 |
|
|
3 | 2.7 | <1 | 65/78/84 | pos |
| 2 |
|
|
3 | 3.7 | <1 | 39/74/nd | pos |
| 3 |
|
|
220 | 3.6 | <1 | 92/81/nd | nd |
| 4 |
|
|
17 | 3.6 | <1 | 54/149/nd | pos |
| 5 |
|
|
65 | 3.3 | 19 | 64/288/335 | pos |
| 6 |
|
|
4 | 3.5 | 9 | 23/65/nd | pos |
| 7 |
|
|
4 | 3.1 | 9 | 16/17/10 | pos |
| 8 |
|
|
265 | 3.1 | 34 | 23/68/nd | pos |
| 9 |
|
|
67 | 3.6 | 3 | 30/63/29 | pos |
| 10 |
|
|
1 | 3.5a | 7 | 252/727/nd | nd |
a
Calculated value; nd = not determined.
Initial screening of central cores and zinc binding groups (ZBG).