Figure 6.
CYP450 substrates represented in the 2D heat map according to the thresholds derived from marketed drugs and model substrates for c log P, LipE, LipMetE, and LE values. Green lines depict the compounds exhibiting our established threshold values of LipMetE (0–2.5), LipE (−0.50 to 3), LE (>0.25), and c log P (1–3). Red color indicates compounds that show deviation from the optimized thresholds of LipMetE, LipE, LE, and c log P.