Table 3.

Predicted and measured rates of metabolism by CYPs in vitro

CL_int intrinsic clearance, CYP cytochrome P450, HLM human liver microsomes, ND not detected, Obsd,observed, Pred predicted. ^aPredicted to be a substrate (yes/no; percent confidence)

^bClearance at 1 µM expressed as µL/min/mg HLM protein. Clearance predictions for compounds predicted not to be substrates are set off by parentheses

^cPossibly a substrate

^dUnlikely to be a substrate

^eFold-errors calculated from the root mean square errors (RMSE) in the log for compounds predicted to be substrates

^fPredicted to be an inhibitor as well as a substrate