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Table 3 Predicted and measured rates of metabolism by CYPs in vitro

From: Design and tests of prospective property predictions for novel antimalarial 2-aminopropylaminoquinolones

  1. CLint 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)
  2. 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
  3. cPossibly a substrate
  4. dUnlikely to be a substrate
  5. eFold-errors calculated from the root mean square errors (RMSE) in the log for compounds predicted to be substrates
  6. fPredicted to be an inhibitor as well as a substrate