Assay Detail
Binding
CHEMBL664176
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Inhibitory activity against Dihydrofolate reductase from Pneumocystis carinii (pcDHFR)
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Pneumocystis carinii |
| 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 | 6.16 | 7.77 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL114354 | — | — | 1 | 7.77 |
| CHEMBL113816 | — | — | 1 | 7.62 |
| CHEMBL119 | TRIMETREXATE | 4.0 | 1 | 7.38 |
| CHEMBL117750 | — | — | 1 | 7.28 |
| CHEMBL325434 | — | — | 1 | 7.06 |
| CHEMBL115804 | — | — | 1 | 7.00 |
| CHEMBL114839 | — | — | 1 | 6.14 |
| CHEMBL116815 | — | — | 1 | 5.66 |
| CHEMBL116200 | — | — | 1 | 5.36 |
| CHEMBL116816 | — | — | 1 | 5.34 |
| CHEMBL116637 | — | — | 1 | 5.31 |
| CHEMBL114833 | — | — | 1 | 5.27 |
| CHEMBL113999 | — | — | 1 | 5.17 |
| CHEMBL115474 | — | — | 1 | 5.06 |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | 4.92 |
| CHEMBL114058 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL114354 | — | IC50 | = | 17.0 | nM | 7.77 |
| CHEMBL113816 | — | IC50 | = | 23.8 | nM | 7.62 |
| CHEMBL119 | TRIMETREXATE | IC50 | = | 42.0 | nM | 7.38 |
| CHEMBL117750 | — | IC50 | = | 52.0 | nM | 7.28 |
| CHEMBL325434 | — | IC50 | = | 87.0 | nM | 7.06 |
| CHEMBL115804 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL114839 | — | IC50 | = | 720.0 | nM | 6.14 |
| CHEMBL116815 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL116200 | — | IC50 | = | 4400.0 | nM | 5.36 |
| CHEMBL116816 | — | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL116637 | — | IC50 | = | 4900.0 | nM | 5.31 |
| CHEMBL114833 | — | IC50 | = | 5400.0 | nM | 5.27 |
| CHEMBL113999 | — | IC50 | = | 6800.0 | nM | 5.17 |
| CHEMBL115474 | — | IC50 | = | 8700.0 | nM | 5.06 |
| CHEMBL22 | TRIMETHOPRIM | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL114058 | — | IC50 | = | 116000.0 | nM | - |