Basic Information
ID: ALA1794477
Type: Functional
Description: PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of hexokinase domain containing I (HKDC1) in the hexokinase 1 selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493160, AID493190]
Format: BAO_0000019
Target: Hexokinase type I(ALA2688)
Document: ALA1201862
PubChem Source: AID:540302
Activity Charts
Bioactivity
Activity Types for Assay ALA1794477
IC50
Compound Summary
| Parent Molecular Weight | ALogP | Polar Surface Area |
|---|---|---|
| 325.37 | 3.95 | 3.95 |
| 325.37 | 3.95 | 3.95 |
| 402.50 | 4.83 | 4.83 |
| 417.51 | 4.14 | 4.14 |
| 532.05 | 3.60 | 3.60 |
| 369.43 | 3.05 | 3.05 |
| 364.41 | 2.49 | 2.49 |
| 511.63 | 3.25 | 3.25 |
| 352.44 | 4.92 | 4.92 |
| 432.53 | 2.31 | 2.31 |
| 419.48 | 3.53 | 3.53 |
| 432.92 | 0.79 | 0.79 |
| 352.44 | 4.81 | 4.81 |
| 366.46 | 5.12 | 5.12 |
| 444.54 | 2.38 | 2.38 |
| 352.44 | 4.92 | 4.92 |
| 352.44 | 4.92 | 4.92 |
| 423.90 | 4.18 | 4.18 |
| 339.40 | 4.01 | 4.01 |
| 311.41 | 4.26 | 4.26 |
| 386.33 | 4.00 | 4.00 |
| 389.45 | 3.52 | 3.52 |
| 417.31 | 5.38 | 5.38 |
| 372.86 | 5.27 | 5.27 |
| 368.44 | 4.62 | 4.62 |
| 403.48 | 3.83 | 3.83 |
| 481.60 | 3.71 | 3.71 |
| 434.42 | 6.36 | 6.36 |
| 373.84 | 4.66 | 4.66 |
| 385.35 | 4.61 | 4.61 |
| 393.44 | 3.10 | 3.10 |
| 363.42 | 3.10 | 3.10 |
| 353.43 | 3.35 | 3.35 |
| 435.40 | 5.76 | 5.76 |
| 357.39 | 4.15 | 4.15 |
| 369.42 | 4.02 | 4.02 |
| 354.41 | 4.32 | 4.32 |
| 403.48 | 3.91 | 3.91 |
| 389.46 | 3.05 | 3.05 |
| 495.63 | 4.10 | 4.10 |
| 325.37 | 3.95 | 3.95 |
| 384.51 | 4.69 | 4.69 |
| 448.48 | 3.74 | 3.74 |
| 364.41 | 2.49 | 2.49 |
| 339.40 | 4.01 | 4.01 |
| 385.35 | 4.61 | 4.61 |
| 382.42 | 4.34 | 4.34 |
| 368.44 | 4.62 | 4.62 |
| 381.48 | 4.68 | 4.68 |
| 388.35 | 5.11 | 5.11 |
| 398.54 | 5.00 | 5.00 |
| 338.41 | 4.62 | 4.62 |
| 357.39 | 4.15 | 4.15 |
| 445.56 | 4.84 | 4.84 |
| 372.86 | 5.27 | 5.27 |
| 366.47 | 4.26 | 4.26 |
| 373.84 | 4.66 | 4.66 |
| 339.40 | 4.01 | 4.01 |
| 373.84 | 4.66 | 4.66 |
| 342.41 | 3.55 | 3.55 |
| 407.44 | 3.66 | 3.66 |
| 394.48 | 1.23 | 1.23 |
| 372.86 | 5.27 | 5.27 |
| 377.44 | 3.66 | 3.66 |
| 418.96 | 5.35 | 5.35 |
| 367.43 | 3.96 | 3.96 |
| 354.41 | 4.32 | 4.32 |
| 352.44 | 4.92 | 4.92 |
| 403.49 | 4.50 | 4.50 |
| 407.43 | 2.82 | 2.82 |
| 368.44 | 4.62 | 4.62 |
| 436.39 | 5.15 | 5.15 |
| 419.43 | 5.28 | 5.28 |
| 398.46 | 4.63 | 4.63 |
| 432.91 | 4.27 | 4.27 |
| 353.43 | 4.32 | 4.32 |
| 417.31 | 5.38 | 5.38 |
| 333.80 | 4.00 | 4.00 |
| 367.46 | 3.96 | 3.96 |
| 381.41 | 3.23 | 3.23 |
| 357.39 | 4.15 | 4.15 |
| 352.44 | 4.92 | 4.92 |
| 324.38 | 4.56 | 4.56 |
| 356.40 | 4.75 | 4.75 |
| 372.86 | 5.27 | 5.27 |
| 348.43 | 3.92 | 3.92 |
| 425.37 | 4.48 | 4.48 |
| 317.80 | 4.29 | 4.29 |
| 417.51 | 4.22 | 4.22 |