Basic Information
ID: ALA1909323
Type: ADME
Description: Drug Induced Liver Injury Prediction System (DILIps) validation dataset; compound DILI positive/negative as observed in Pfizer data
Tissue: Liver
Activity Charts
Bioactivity
Activity Types for Assay ALA1909323
DILI positive/negative
Compound Summary
| Parent Molecular Weight | ALogP | Polar Surface Area |
|---|---|---|
| 264.37 | 3.08 | 3.08 |
| 333.45 | 3.93 | 3.93 |
| 365.21 | 4.15 | 4.15 |
| 331.18 | 3.75 | 3.75 |
| 232.28 | 1.86 | 1.86 |
| 301.33 | 3.03 | 3.03 |
| 236.30 | 2.73 | 2.73 |
| 275.35 | 1.77 | 1.77 |
| 308.38 | 3.79 | 3.79 |
| 300.44 | 5.60 | 5.60 |
| 417.39 | 2.90 | 2.90 |
| 238.33 | 2.85 | 2.85 |
| 242.70 | 3.06 | 3.06 |
| 151.16 | 1.35 | 1.35 |
| 179.22 | 2.04 | 2.04 |
| 157.01 | 2.45 | 2.45 |
| 359.40 | 2.28 | 2.28 |
| 471.69 | 6.45 | 6.45 |
| 516.86 | 9.91 | 9.91 |
| 291.73 | 2.85 | 2.85 |
| 356.49 | 3.66 | 3.66 |
| 266.39 | 3.02 | 3.02 |
| 159.23 | 1.75 | 1.75 |
| 199.30 | 0.70 | 0.70 |
| 296.41 | 3.61 | 3.61 |
| 143.14 | 0.37 | 0.37 |
| 419.48 | 5.04 | 5.04 |
| 328.41 | 2.14 | 2.14 |
| 356.06 | 5.86 | 5.86 |
| 612.63 | 3.63 | 3.63 |
| 199.28 | 3.89 | 3.89 |
| 268.36 | 5.55 | 5.55 |
| 246.27 | 1.04 | 1.04 |
| 458.58 | 5.35 | 5.35 |
| 244.32 | 0.80 | 0.80 |
| 475.58 | 5.31 | 5.31 |
| 495.64 | 5.27 | 5.27 |
| 335.34 | 1.48 | 1.48 |
| 246.19 | -1.68 | -1.68 |
| 404.34 | 5.50 | 5.50 |
| 308.31 | 2.76 | 2.76 |
| 305.42 | 3.79 | 3.79 |
| 339.44 | 2.51 | 2.51 |
| 197.19 | 0.05 | 0.05 |
| 411.47 | 3.42 | 3.42 |
| 277.50 | 5.30 | 5.30 |
| 223.27 | 3.22 | 3.22 |
| 334.17 | 2.89 | 2.89 |
| 267.25 | -1.98 | -1.98 |
| 238.24 | 0.96 | 0.96 |
| 179.22 | 0.72 | 0.72 |
| 217.27 | 1.77 | 1.77 |
| 225.16 | 0.97 | 0.97 |
| 362.09 | ||
| 201.70 | 1.98 | 1.98 |
| 245.33 | 2.35 | 2.35 |
| 402.40 | 0.95 | 0.95 |
| 153.14 | 0.67 | 0.67 |
| 168.11 | 1.50 | 1.50 |
| 270.34 | 1.23 | 1.23 |
| 123.11 | 0.78 | 0.78 |
| 301.73 | 4.34 | 4.34 |
| 192.26 | 2.51 | 2.51 |
| 276.32 | 1.39 | 1.39 |
| 372.81 | 3.14 | 3.14 |
| 249.27 | 3.60 | 3.60 |
| 160.09 | -2.97 | -2.97 |
| 169.18 | 0.08 | 0.08 |
| 251.71 | 2.90 | 2.90 |
| 163.24 | 0.54 | 0.54 |
| 270.37 | 3.82 | 3.82 |
| 909.07 | 3.99 | 3.99 |
| 424.09 | 5.46 | 5.46 |
| 353.33 | 3.52 | 3.52 |
| 58.08 | 0.16 | 0.16 |
| 392.58 | 4.48 | 4.48 |
| 252.10 | 1.17 | 1.17 |
| 244.21 | -3.17 | -3.17 |
| 388.85 | 2.79 | 2.79 |
| 372.09 | -1.27 | -1.27 |
| 265.36 | 0.61 | 0.61 |
| 483.72 | 4.43 | 4.43 |
| 176.12 | -1.41 | -1.41 |
| 367.45 | 2.23 | 2.23 |
| 324.40 | 2.21 | 2.21 |
| 285.69 | -0.30 | -0.30 |
| 418.43 | 0.59 | 0.59 |
| 803.00 | 1.67 | 1.67 |
| 384.27 | 2.06 | 2.06 |
| 388.42 | 3.20 | 3.20 |
| 813.98 | 3.62 | 3.62 |
| 289.16 | 3.59 | 3.59 |
| 564.44 | -1.13 | -1.13 |
| 421.03 | 4.83 | 4.83 |
| 475.89 | 2.55 | 2.55 |
| 291.83 | 2.65 | 2.65 |
| 716.60 | 6.76 | 6.76 |
| 562.10 | -0.65 | -0.65 |
| 290.40 | 4.47 | 4.47 |
| 384.52 | 4.43 | 4.43 |
| 489.06 | 5.48 | 5.48 |
| 187.67 | 1.07 | 1.07 |
| 201.70 | 1.33 | 1.33 |
| 244.25 | -0.05 | -0.05 |
| 182.70 | -1.92 | -1.92 |
| 151.91 | ||
| 424.93 | 2.58 | 2.58 |
| 435.32 | 3.93 | 3.93 |
| 891.54 | 5.45 | 5.45 |
| 249.71 | 2.66 | 2.66 |
| 483.48 | 0.09 | 0.09 |
| 445.45 | 0.48 | 0.48 |
| 388.94 | 3.41 | 3.41 |
| 247.72 | 1.08 | 1.08 |
| 310.44 | 3.92 | 3.92 |
| 348.51 | 3.48 | 3.48 |
| 441.48 | 1.53 | 1.53 |
| 180.16 | -3.83 | -3.83 |
| 178.57 | -0.26 | -0.26 |
| 488.33 | -2.23 | -2.23 |
| 300.83 | 2.62 | 2.62 |
| 370.33 | 3.38 | 3.38 |
| 436.96 | 4.19 | 4.19 |
| 484.50 | -0.23 | -0.23 |
| 185.25 | 3.57 | 3.57 |
| 261.39 | 2.71 | 2.71 |
| 507.45 | 4.60 | 4.60 |
| 175.23 | 0.97 | 0.97 |
| 486.90 | 4.64 | 4.64 |
| 312.28 | 2.28 | 2.28 |
| 198.48 | 2.58 | 2.58 |
| 388.40 | 1.94 | 1.94 |
| 273.75 | ||
| 86.09 | 0.35 | 0.35 |
| 97.12 | 0.45 | 0.45 |
| 561.57 | -0.23 | -0.23 |
| 373.92 | 4.50 | 4.50 |
| 681.71 | -1.11 | -1.11 |
| 614.73 | 6.83 | 6.83 |
| 312.45 | 3.88 | 3.88 |
| 515.35 | 0.44 | 0.44 |
| 478.89 | -0.44 | -0.44 |
| 392.18 | ||
| 405.97 | 6.56 | 6.56 |
| 465.25 | 5.18 | 5.18 |
| 522.55 | 3.71 | 3.71 |
| 418.66 | 6.73 | 6.73 |