Basic Information
ID: ALA1909321
Type: ADME
Description: Drug Induced Liver Injury Prediction System (DILIps) validation dataset; compound DILI positive/negative as observed in LTKB-BD
Tissue: Liver
Activity Charts
Bioactivity
Activity Types for Assay ALA1909321
DILI positive/negative
Compound Summary
| Parent Molecular Weight | ALogP | Polar Surface Area |
|---|---|---|
| 357.35 | 3.56 | 3.56 |
| 255.32 | 1.53 | 1.53 |
| 253.28 | 1.37 | 1.37 |
| 331.18 | 3.75 | 3.75 |
| 236.30 | 2.73 | 2.73 |
| 357.79 | 3.93 | 3.93 |
| 581.07 | 6.14 | 6.14 |
| 238.33 | 2.85 | 2.85 |
| 255.75 | 2.55 | 2.55 |
| 317.23 | 3.84 | 3.84 |
| 404.34 | 5.50 | 5.50 |
| 308.31 | 2.76 | 2.76 |
| 246.15 | 1.98 | 1.98 |
| 411.47 | 3.42 | 3.42 |
| 277.50 | 5.30 | 5.30 |
| 334.17 | 2.89 | 2.89 |
| 238.24 | 0.96 | 0.96 |
| 226.66 | 2.53 | 2.53 |
| 179.22 | 0.72 | 0.72 |
| 278.22 | 1.15 | 1.15 |
| 364.41 | 3.57 | 3.57 |
| 61.08 | -1.06 | -1.06 |
| 337.46 | 4.50 | 4.50 |
| 153.14 | 0.67 | 0.67 |
| 301.73 | 4.34 | 4.34 |
| 192.26 | 2.51 | 2.51 |
| 364.44 | 5.30 | 5.30 |
| 215.23 | -0.37 | -0.37 |
| 372.81 | 3.14 | 3.14 |
| 249.27 | 3.60 | 3.60 |
| 279.38 | 2.98 | 2.98 |
| 251.71 | 2.90 | 2.90 |
| 523.55 | 0.66 | 0.66 |
| 424.09 | 5.46 | 5.46 |
| 518.09 | 5.14 | 5.14 |
| 310.47 | 4.63 | 4.63 |
| 317.34 | 3.38 | 3.38 |
| 388.85 | 2.79 | 2.79 |
| 337.57 | 5.56 | 5.56 |
| 293.73 | 4.16 | 4.16 |
| 387.85 | 3.46 | 3.46 |
| 372.09 | -1.27 | -1.27 |
| 442.48 | 4.56 | 4.56 |
| 473.57 | 1.10 | 1.10 |
| 437.53 | 3.14 | 3.14 |
| 282.30 | 2.55 | 2.55 |
| 273.74 | 1.62 | 1.62 |
| 244.25 | -0.05 | -0.05 |
| 513.68 | 5.95 | 5.95 |
| 558.52 | 0.90 | 0.90 |
| 357.35 | 0.99 | 0.99 |
| 577.72 | 4.58 | 4.58 |
| 555.66 | 4.26 | 4.26 |
| 298.35 | 1.02 | 1.02 |
| 603.75 | 2.83 | 2.83 |
| 266.30 | 3.93 | 3.93 |
| 300.83 | 4.87 | 4.87 |
| 191.27 | 2.08 | 2.08 |
| 137.19 | 1.30 | 1.30 |
| 477.44 | 2.05 | 2.05 |
| 238.08 | 3.01 | 3.01 |
| 401.96 | 4.53 | 4.53 |
| 253.71 | 3.09 | 3.09 |
| 136.20 | 1.21 | 1.21 |
| 434.52 | 2.76 | 2.76 |
| 248.20 | 2.00 | 2.00 |
| 166.22 | 0.92 | 0.92 |
| 1216.35 | ||
| 443.46 | 3.76 | 3.76 |
| 375.42 | 4.71 | 4.71 |
| 425.39 | -3.85 | -3.85 |
| 1720.05 | ||
| 239.36 | 3.75 | 3.75 |