Basic Information
ID: ALA2071967
Type: ADME
Description: Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-benzyloxyquinoline as substrate after 30 mins
Organism: Homo sapiens
Activity Charts
Bioactivity
Activity Types for Assay ALA2071967
Inhibition
Compound Summary
| Parent Molecular Weight | ALogP | Polar Surface Area |
|---|---|---|
| 361.37 | 1.54 | 1.54 |
| 357.79 | 3.93 | 3.93 |
| 331.35 | 1.58 | 1.58 |
| 280.42 | 3.88 | 3.88 |
| 441.55 | 4.37 | 4.37 |
| 268.36 | 4.83 | 4.83 |
| 167.30 | 2.42 | 2.42 |
| 252.27 | 1.77 | 1.77 |
| 290.32 | 1.26 | 1.26 |
| 398.40 | 3.70 | 3.70 |
| 146.14 | 1.79 | 1.79 |
| 414.53 | 3.37 | 3.37 |
| 180.16 | 1.31 | 1.31 |
| 341.43 | 0.56 | 0.56 |
| 259.35 | 2.58 | 2.58 |
| 252.35 | 0.60 | 0.60 |
| 328.41 | 2.14 | 2.14 |
| 330.75 | 1.89 | 1.89 |
| 300.44 | 5.60 | 5.60 |
| 232.24 | 0.70 | 0.70 |
| 309.33 | 4.44 | 4.44 |
| 326.83 | 3.72 | 3.72 |
| 393.47 | 4.51 | 4.51 |
| 331.18 | 3.75 | 3.75 |
| 385.51 | 2.09 | 2.09 |
| 211.22 | 0.44 | 0.44 |
| 266.30 | 2.65 | 2.65 |
| 137.14 | -0.31 | -0.31 |
| 272.37 | 1.09 | 1.09 |
| 441.58 | 1.98 | 1.98 |
| 182.19 | 0.07 | 0.07 |
| 285.34 | 1.20 | 1.20 |
| 318.87 | 4.89 | 4.89 |
| 319.88 | 4.81 | 4.81 |
| 329.37 | 3.33 | 3.33 |
| 473.59 | 6.08 | 6.08 |
| 371.52 | 6.00 | 6.00 |
| 468.37 | 2.11 | 2.11 |
| 354.49 | 3.48 | 3.48 |
| 261.09 | 1.88 | 1.88 |
| 276.75 | 1.74 | 1.74 |
| 160.18 | 0.92 | 0.92 |
| 924.09 | 0.71 | 0.71 |
| 236.30 | 2.73 | 2.73 |
| 198.27 | 2.70 | 2.70 |
| 379.50 | 4.36 | 4.36 |
| 404.55 | 4.20 | 4.20 |
| 285.39 | 2.66 | 2.66 |
| 214.05 | 1.16 | 1.16 |
| 206.28 | 3.07 | 3.07 |
| 331.35 | 1.58 | 1.58 |
| 308.38 | 3.79 | 3.79 |
| 749.00 | 1.90 | 1.90 |
| 733.94 | 1.79 | 1.79 |
| 314.47 | 4.72 | 4.72 |
| 344.85 | 5.38 | 5.38 |
| 334.33 | -1.65 | -1.65 |
| 306.28 | 0.74 | 0.74 |
| 399.44 | 2.87 | 2.87 |
| 236.27 | 3.39 | 3.39 |
| 144.21 | 2.29 | 2.29 |
| 242.70 | 3.06 | 3.06 |
| 151.16 | 1.35 | 1.35 |
| 194.19 | -1.03 | -1.03 |
| 356.42 | 4.37 | 4.37 |
| 238.16 | 0.07 | 0.07 |
| 123.11 | 0.78 | 0.78 |
| 613.80 | 2.87 | 2.87 |
| 356.45 | 3.16 | 3.16 |
| 357.44 | 2.49 | 2.49 |
| 575.69 | 5.70 | 5.70 |
| 247.34 | 2.21 | 2.21 |
| 291.73 | 2.85 | 2.85 |
| 387.44 | 1.06 | 1.06 |
| 123.11 | -0.42 | -0.42 |
| 383.47 | -0.31 | -0.31 |
| 470.02 | 3.55 | 3.55 |
| 356.49 | 3.66 | 3.66 |
| 277.41 | 4.17 | 4.17 |
| 645.32 | 6.94 | 6.94 |
| 358.43 | 1.77 | 1.77 |
| 277.41 | 3.04 | 3.04 |
| 267.24 | -0.20 | -0.20 |
| 371.28 | 2.68 | 2.68 |
| 272.39 | 3.61 | 3.61 |
| 255.36 | 3.35 | 3.35 |
| 277.41 | 4.21 | 4.21 |
| 360.84 | 4.68 | 4.68 |
| 296.15 | 4.36 | 4.36 |
| 241.29 | 3.75 | 3.75 |
| 296.41 | 3.61 | 3.61 |
| 372.55 | 3.81 | 3.81 |
| 312.44 | 3.44 | 3.44 |
| 373.95 | 4.58 | 4.58 |
| 220.36 | 4.30 | 4.30 |
| 256.10 | 2.01 | 2.01 |
| 303.83 | 4.19 | 4.19 |
| 75.07 | -0.97 | -0.97 |
| 199.16 | -1.10 | -1.10 |
| 327.47 | 3.37 | 3.37 |
| 317.43 | 3.26 | 3.26 |
| 586.20 | 8.95 | 8.95 |
| 454.45 | 0.27 | 0.27 |
| 369.47 | 3.46 | 3.46 |
| 209.25 | -0.13 | -0.13 |
| 230.26 | 3.04 | 3.04 |
| 243.22 | -2.56 | -2.56 |
| 276.21 | 3.21 | 3.21 |
| 306.24 | 5.18 | 5.18 |
| 318.34 | 3.20 | 3.20 |
| 246.31 | -0.28 | -0.28 |
| 231.30 | 1.55 | 1.55 |
| 263.79 | 3.96 | 3.96 |
| 235.07 | -1.66 | -1.66 |
| 435.44 | -1.17 | -1.17 |
| 546.59 | -1.30 | -1.30 |
| 588.56 | 1.34 | 1.34 |
| 206.03 | -0.99 | -0.99 |
| 1202.63 | ||
| 357.45 | 1.71 | 1.71 |
| 374.91 | 3.06 | 3.06 |
| 269.39 | 3.66 | 3.66 |
| 543.53 | 0.00 | 0.00 |
| 303.20 | 1.94 | 1.94 |
| 307.40 | 3.25 | 3.25 |
| 246.19 | -1.68 | -1.68 |
| 404.34 | 5.50 | 5.50 |
| 554.59 | -1.20 | -1.20 |
| 283.11 | -0.37 | -0.37 |
| 131.17 | 0.44 | 0.44 |
| 308.31 | 2.76 | 2.76 |
| 301.34 | 0.75 | 0.75 |
| 296.55 | 3.62 | 3.62 |
| 187.29 | 2.18 | 2.18 |
| 198.22 | 0.43 | 0.43 |
| 224.22 | -0.71 | -0.71 |
| 277.50 | 5.30 | 5.30 |
| 248.31 | 1.68 | 1.68 |
| 418.57 | 4.59 | 4.59 |
| 435.53 | 4.16 | 4.16 |
| 334.17 | 2.89 | 2.89 |
| 365.41 | 0.02 | 0.02 |
| 246.35 | 2.73 | 2.73 |
| 136.20 | 0.69 | 0.69 |
| 238.24 | 0.96 | 0.96 |
| 179.22 | 0.72 | 0.72 |
| 314.37 | 2.26 | 2.26 |
| 181.22 | 0.57 | 0.57 |
| 424.53 | 2.44 | 2.44 |
| 348.43 | 2.53 | 2.53 |
| 153.14 | 0.67 | 0.67 |
| 324.38 | 3.49 | 3.49 |
| 357.49 | 3.34 | 3.34 |
| 374.91 | 4.04 | 4.04 |
| 372.81 | 3.14 | 3.14 |
| 317.22 | 2.45 | 2.45 |
| 324.42 | 3.17 | 3.17 |
| 531.44 | 4.21 | 4.21 |
| 430.54 | 2.72 | 2.72 |
| 251.71 | 2.90 | 2.90 |
| 273.36 | 2.01 | 2.01 |
| 288.39 | 2.58 | 2.58 |
| 288.43 | 3.88 | 3.88 |
| 152.18 | 0.64 | 0.64 |
| 822.95 | 4.34 | 4.34 |
| 392.47 | 1.90 | 1.90 |
| 457.48 | 0.19 | 0.19 |
| 444.44 | -0.21 | -0.21 |
| 424.09 | 5.46 | 5.46 |
| 394.44 | 0.62 | 0.62 |
| 180.17 | -1.04 | -1.04 |
| 470.69 | 6.41 | 6.41 |
| 299.37 | 1.93 | 1.93 |
| 236.23 | -0.21 | -0.21 |
| 308.33 | 3.61 | 3.61 |
| 136.11 | 0.06 | 0.06 |
| 337.46 | 4.22 | 4.22 |
| 422.92 | 4.27 | 4.27 |
| 558.65 | 6.31 | 6.31 |
| 408.88 | 2.27 | 2.27 |
| 285.34 | 1.63 | 1.63 |
| 346.34 | 2.18 | 2.18 |
| 345.42 | 2.90 | 2.90 |
| 434.50 | 2.27 | 2.27 |
| 446.51 | 3.66 | 3.66 |
| 170.24 | 1.38 | 1.38 |
| 310.34 | 0.88 | 0.88 |
| 277.27 | 1.15 | 1.15 |
| 650.98 | 3.95 | 3.95 |
| 1255.44 | ||
| 168.58 | 2.06 | 2.06 |
| 149.24 | 1.97 | 1.97 |
| 408.92 | 2.17 | 2.17 |
| 390.96 | 5.56 | 5.56 |
| 343.90 | 5.10 | 5.10 |
| 392.33 | 5.18 | 5.18 |
| 645.68 | -1.11 | -1.11 |
| 186.24 | 1.56 | 1.56 |
| 388.42 | 3.20 | 3.20 |
| 465.95 | 3.36 | 3.36 |
| 813.98 | 3.62 | 3.62 |
| 747.96 | 2.44 | 2.44 |
| 191.27 | 2.08 | 2.08 |
| 780.95 | 2.22 | 2.22 |
| 151.91 | ||
| 370.29 | 2.03 | 2.03 |
| 195.22 | 0.74 | 0.74 |
| 241.24 | 0.53 | 0.53 |
| 310.44 | 3.92 | 3.92 |
| 1209.42 | ||
| 149.24 | 1.84 | 1.84 |
| 254.29 | -0.19 | -0.19 |
| 314.26 | 1.74 | 1.74 |
| 167.21 | 0.77 | 0.77 |
| 1085.16 | ||
| 150.22 | 2.71 | 2.71 |
| 332.46 | 2.85 | 2.85 |
| 314.41 | 1.46 | 1.46 |
| 289.38 | 1.93 | 1.93 |
| 1390.73 | ||
| 740.76 | 1.54 | 1.54 |