Physicochemical properties, abundance and estimated fm of ketone metabolites
Structures of drugs and their metabolites are provided in Supplemental Table 2B. References provided in Supplemental Material.
| Drug | cLogD | tPSA | Metabolite | cLogD | tPSA | M/P | Ref |
|---|---|---|---|---|---|---|---|
| Nefazadone | 3.89 | 51.6 | Triazolodione | 1.07 | 68.4 | 2.1 | Barbhaiya et al., 1995, 1996a,b |
| Itraconazole | 3.77 | 118 | Ketoitraconazole | 4.93 | 101 | 0.04 | Templeton et al., 2008 |
| Otenabant | 4.71 | 102 | Ketone metabolite | 4.55 | 63.9 | 1.1 | Miao et al., 2012 |
| Pioglitazone | 2.45 | 93.6 | Ketopioglitazone | 0.73 | 111 | 0.9–2.8 (SD); 0.5 (MD) | Eckland and Danhof, 2000; Budde et al., 2003 |
| Bufuralol | 1.46 | 45.4 | 1′-Oxobufuralol | 0.19 | 62.5 | 0.1 to 0.2 | Pringle et al., 1986 |