Assay Detail
ADMET
CHEMBL4423790
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Inhibition of human DHFR expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed by substrate and NADPH addition and measured after 60 mins by resazurin dye based diaphorase-coupled assay
31
Total Activities
31
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Discovery of Selective Toxoplasma gondii Dihydrofolate Reductase Inhibitors for the Treatment of Toxoplasmosis.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 31 | 6.13 | 8.39 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL119 | TRIMETREXATE | 4.0 | 1 | 8.39 |
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | 8.32 |
| CHEMBL4582435 | — | — | 1 | 6.70 |
| CHEMBL4459877 | — | — | 1 | 6.62 |
| CHEMBL4461133 | — | — | 1 | 6.52 |
| CHEMBL4468777 | FANOTAPRIM | 1.0 | 1 | 6.51 |
| CHEMBL4552468 | — | — | 1 | 6.46 |
| CHEMBL4591654 | — | — | 1 | 6.33 |
| CHEMBL4535103 | — | — | 1 | 6.27 |
| CHEMBL3953119 | — | — | 1 | 6.16 |
| CHEMBL4439025 | — | — | 1 | 6.09 |
| CHEMBL4543226 | — | — | 1 | 6.03 |
| CHEMBL4550110 | — | — | 1 | 6.01 |
| CHEMBL4464707 | — | — | 1 | 5.96 |
| CHEMBL4456834 | — | — | 1 | 5.96 |
| CHEMBL4584470 | — | — | 1 | 5.89 |
| CHEMBL4466302 | — | — | 1 | 5.88 |
| CHEMBL4519642 | — | — | 1 | 5.87 |
| CHEMBL4573445 | — | — | 1 | 5.84 |
| CHEMBL4544894 | — | — | 1 | 5.81 |
| CHEMBL4435247 | — | — | 1 | 5.79 |
| CHEMBL36 | PYRIMETHAMINE | 4.0 | 1 | 5.78 |
| CHEMBL4544467 | — | — | 1 | 5.75 |
| CHEMBL4546142 | — | — | 1 | 5.57 |
| CHEMBL4591892 | — | — | 1 | 5.55 |
| CHEMBL4525462 | — | — | 1 | 5.49 |
| CHEMBL4549054 | — | — | 1 | 5.22 |
| CHEMBL4553229 | — | — | 1 | 4.90 |
| CHEMBL4569184 | — | — | 1 | - |
| CHEMBL4463544 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL119 | TRIMETREXATE | IC50 | = | 4.07 | nM | 8.39 |
| CHEMBL34259 | METHOTREXATE | IC50 | = | 4.74 | nM | 8.32 |
| CHEMBL4582435 | — | IC50 | = | 200.0 | nM | 6.70 |
| CHEMBL4459877 | — | IC50 | = | 237.0 | nM | 6.62 |
| CHEMBL4461133 | — | IC50 | = | 300.0 | nM | 6.52 |
| CHEMBL4468777 | FANOTAPRIM | IC50 | = | 308.0 | nM | 6.51 |
| CHEMBL4552468 | — | IC50 | = | 347.0 | nM | 6.46 |
| CHEMBL4591654 | — | IC50 | = | 468.0 | nM | 6.33 |
| CHEMBL4535103 | — | IC50 | = | 541.0 | nM | 6.27 |
| CHEMBL3953119 | — | IC50 | = | 689.0 | nM | 6.16 |
| CHEMBL4439025 | — | IC50 | = | 819.0 | nM | 6.09 |
| CHEMBL4543226 | — | IC50 | = | 935.0 | nM | 6.03 |
| CHEMBL4550110 | — | IC50 | = | 973.0 | nM | 6.01 |
| CHEMBL4464707 | — | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL4456834 | — | IC50 | = | 1090.0 | nM | 5.96 |
| CHEMBL4584470 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL4466302 | — | IC50 | = | 1330.0 | nM | 5.88 |
| CHEMBL4519642 | — | IC50 | = | 1360.0 | nM | 5.87 |
| CHEMBL4573445 | — | IC50 | = | 1430.0 | nM | 5.84 |
| CHEMBL4544894 | — | IC50 | = | 1540.0 | nM | 5.81 |
| CHEMBL4435247 | — | IC50 | = | 1630.0 | nM | 5.79 |
| CHEMBL36 | PYRIMETHAMINE | IC50 | = | 1680.0 | nM | 5.78 |
| CHEMBL4544467 | — | IC50 | = | 1790.0 | nM | 5.75 |
| CHEMBL4546142 | — | IC50 | = | 2710.0 | nM | 5.57 |
| CHEMBL4591892 | — | IC50 | = | 2800.0 | nM | 5.55 |
| CHEMBL4525462 | — | IC50 | = | 3260.0 | nM | 5.49 |
| CHEMBL4549054 | — | IC50 | = | 5980.0 | nM | 5.22 |
| CHEMBL4553229 | — | IC50 | = | 12500.0 | nM | 4.90 |
| CHEMBL4569184 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL4463544 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL22 | TRIMETHOPRIM | IC50 | = | 503000.0 | nM | - |