Basic Information
ID: ALA3887294
Type: Binding
Description: In vitro CYP3A4 Inhibition Assay: Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute to the elimination of ATRA by catalyzing its 4-hydroxylation in the mammalian liver and skin, including that of humans as well as swine. Applicant evaluated the potential RAMBA activity of several azoles using pig liver microsomes, a rich source of CYP activity, comprising many different CYP 450 isoforms. Therefore, this approach, while a reasonable way to assess CYP inhibitors with broad activities may or may not be the best way to discover RAMBAs with selectivity for the skin, which has a much more narrow complement of CYP expression. As understanding in this area has progressed, a more specific CYP inhibition assay can be used to provide better predictivity of activity in human skin. Nevertheless, this assay may still be used as a general predictor of overall CYP activity.
Organism: Homo sapiens
Tissue: Liver
Activity Charts
Bioactivity
Activity Types for Assay ALA3887294
IC50
Compound Summary
| Parent Molecular Weight | ALogP | Polar Surface Area |
|---|---|---|
| 232.24 | 1.42 | 1.42 |
| 331.35 | 1.58 | 1.58 |
| 252.35 | 0.60 | 0.60 |
| 416.13 | 6.45 | 6.45 |
| 144.18 | 2.08 | 2.08 |
| 68.08 | 0.41 | 0.41 |
| 144.18 | 2.08 | 2.08 |
| 144.18 | 1.87 | 1.87 |
| 82.11 | 0.42 | 0.42 |
| 306.28 | 0.74 | 0.74 |
| 236.27 | 3.39 | 3.39 |
| 310.40 | 5.19 | 5.19 |
| 155.16 | -0.64 | -0.64 |
| 470.02 | 3.55 | 3.55 |
| 354.45 | 3.27 | 3.27 |
| 268.36 | 5.55 | 5.55 |
| 204.23 | 1.12 | 1.12 |
| 146.15 | -1.34 | -1.34 |
| 132.12 | -1.73 | -1.73 |
| 226.28 | 2.64 | 2.64 |
| 96.13 | 0.97 | 0.97 |
| 82.11 | 0.72 | 0.72 |
| 118.14 | 1.56 | 1.56 |
| 290.32 | 2.57 | 2.57 |
| 154.56 | 1.01 | 1.01 |
| 165.24 | 0.95 | 0.95 |
| 194.24 | 3.23 | 3.23 |
| 531.44 | 4.21 | 4.21 |
| 184.20 | 2.82 | 2.82 |
| 308.77 | 4.05 | 4.05 |
| 135.13 | -0.11 | -0.11 |
| 180.17 | -1.04 | -1.04 |
| 215.22 | 1.56 | 1.56 |
| 136.11 | 0.06 | 0.06 |
| 84.08 | -0.61 | -0.61 |
| 174.20 | -1.34 | -1.34 |
| 114.17 | 0.71 | 0.71 |
| 272.31 | 3.69 | 3.69 |
| 228.68 | 3.88 | 3.88 |
| 186.21 | 2.07 | 2.07 |
| 192.30 | 3.66 | 3.66 |
| 338.44 | 3.72 | 3.72 |
| 142.16 | -0.15 | -0.15 |
| 731.97 | 3.06 | 3.06 |
| 110.16 | 1.28 | 1.28 |
| 292.77 | 3.73 | 3.73 |
| 110.12 | 0.54 | 0.54 |
| 274.30 | 2.48 | 2.48 |
| 283.80 | 3.16 | 3.16 |
| 277.75 | 2.73 | 2.73 |
| 287.36 | 3.24 | 3.24 |
| 162.15 | 0.60 | 0.60 |
| 225.25 | 1.53 | 1.53 |
| 240.26 | -0.22 | -0.22 |
| 94.12 | 0.98 | 0.98 |
| 793.99 | 2.98 | 2.98 |
| 186.64 | 2.22 | 2.22 |
| 747.96 | 2.44 | 2.44 |
| 346.86 | 5.17 | 5.17 |
| 665.24 | 9.28 | 9.28 |
| 125.17 | 0.23 | 0.23 |
| 416.54 | 3.77 | 3.77 |
| 1202.63 | ||
| 822.95 | 3.93 | 3.93 |