TABLE 1
Commercial and CP-320626 analog CYP51 inhibitors used as a catalyst training set
Inhibitor | Structure | Observed CYP51 IC50a | Estimated CYP51 IC50a | |
|---|---|---|---|---|
| μM | ||||
| Clotrimazole |
| 0.13 | 1.3 | |
| Ketoconazole |
| 0.19 | 0.082 | |
| Miconazole |
| 0.2 | 1.7 | |
| Analog A |
| 0.3 | 1.2 | |
| Analog B |
| 0.8 | 2.2 | |
| Analog C |
| 0.91 | 2 | |
| Analog D |
| 1.3 | 6.9 | |
| Analog E |
| 2.5 | 2.9 | |
| Analog F |
| 3.1 | 1.5 | |
| CP-320626 |
| 4.0 | 2.8 | |
| Analog G |
| 4.5 | 3.2 | |
| Analog H |
| 9.7 | 3.5 | |
| Analog I |
| 26 | 3.3 | |
| Rifampicin |
| 30 | 130 | |
| Griseofulvin |
| 50 | 120 | |
| Tolnaftate |
| 50 | 25 | |
| Testosterone |
| 50 | 160 | |
| Analog J |
| 75 | 44 | |
| Analog K |
| 100 | 60 | |
| μM | ||||
| Analog L |
| 100 | 14 | |
| Benzimidazole |
| >200 | 150 | |
| Metronidazole |
| >200 | 64 | |
| Methimazole |
| >200 | 130 | |
| Analog M |
| >200 | 110 | |
| Analog N |
| >200 | 130 | |
| Analog O |
| >200 | 89 | |
-
↵ a Experimental data are the average of triplicate determinations.