Assay Detail
Binding
CHEMBL666736
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Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR)
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Escherichia coli |
| Confidence | 9 — Direct single protein target |
| Curated By | Intermediate |
Publication
Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 16 | 7.18 | 8.55 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL113816 | — | — | 1 | 8.55 |
| CHEMBL114354 | — | — | 1 | 8.27 |
| CHEMBL325434 | — | — | 1 | 8.11 |
| CHEMBL117750 | — | — | 1 | 8.09 |
| CHEMBL119 | TRIMETREXATE | 4.0 | 1 | 8.00 |
| CHEMBL115804 | — | — | 1 | 7.89 |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | 7.75 |
| CHEMBL114833 | — | — | 1 | 6.85 |
| CHEMBL114839 | — | — | 1 | 6.82 |
| CHEMBL113999 | — | — | 1 | 6.64 |
| CHEMBL116200 | — | — | 1 | 6.41 |
| CHEMBL116637 | — | — | 1 | 6.39 |
| CHEMBL116815 | — | — | 1 | 6.38 |
| CHEMBL116816 | — | — | 1 | 6.38 |
| CHEMBL115474 | — | — | 1 | 6.29 |
| CHEMBL114058 | — | — | 1 | 6.00 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL113816 | — | IC50 | = | 2.8 | nM | 8.55 |
| CHEMBL114354 | — | IC50 | = | 5.4 | nM | 8.27 |
| CHEMBL325434 | — | IC50 | = | 7.8 | nM | 8.11 |
| CHEMBL117750 | — | IC50 | = | 8.1 | nM | 8.09 |
| CHEMBL119 | TRIMETREXATE | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL115804 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL22 | TRIMETHOPRIM | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL114833 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL114839 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL113999 | — | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL116200 | — | IC50 | = | 390.0 | nM | 6.41 |
| CHEMBL116637 | — | IC50 | = | 410.0 | nM | 6.39 |
| CHEMBL116815 | — | IC50 | = | 420.0 | nM | 6.38 |
| CHEMBL116816 | — | IC50 | = | 420.0 | nM | 6.38 |
| CHEMBL115474 | — | IC50 | = | 510.0 | nM | 6.29 |
| CHEMBL114058 | — | IC50 | = | 1000.0 | nM | 6.00 |