Table 2. Table Summarizing LipE, ΔG, LE, and c log P Ranges for the CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4 Substrate Datasets That Were Used for LipE and LE Profilinga.
known
drugs and model substrates data |
|||||||||
---|---|---|---|---|---|---|---|---|---|
CYP450 | no of substrates | LipE range | ΔG range | LE range | c log P range | no of substrates | average LipE | average LE | average c log P |
CYP1A2 | 58 | –1.96 to 7.24 | –9.09 to −3.48 | 0.185–1.42 | –2.8 to 6.4 | 35 | 1.62 | 0.35 | 2.68 |
CYP2C9 | 55 | –1.02 to 5.00 | –9.04 to −3.74 | 0.187–0.75 | 0.23 to 5.68 | 39 | 1.68 | 0.32 | 3.06 |
CYP2C19 | 60 | –4.21 to 5.13 | –10.0 to −1.49 | 0.064–0.50 | –0.78 to 5.59 | 35 | 1.08 | 0.29 | 3.19 |
CYP2D6 | 73 | –1.18 to 5.14 | –11.25 to −2.86 | 0.12–0.63 | –0.04 to 7.41 | 46 | 1.57 | 0.32 | 3.02 |
CYP3A4 | 101 | –2.52 to 6.66 | –10.45 to −2.26 | 0.1–1.28 | –2.8 to 7.41 | 75 | 1.13 | 0.24 | 3.23 |
The average values of LipE, ΔG, LE, and c log P against each CYP isoform were calculated using all marketed drugs and model substrates included in each CYP substrate dataset.