Assay Detail
Binding
CHEMBL914525
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Inhibition of Escherichia coli DHFR
6
Total Activities
6
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
Synthesis of N-{4-[(2,4-diamino-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid and N-{4-[(2-amino-4-oxo-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid as dual inhibitors of dihydrofolate reductase and thymidylate synthase and as potential antitumor agents.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 6 | 6.32 | 8.18 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | 8.18 |
| CHEMBL389643 | — | — | 1 | 7.80 |
| CHEMBL225071 | RALTITREXED | 4.0 | 1 | 4.64 |
| CHEMBL422395 | — | — | 1 | 4.64 |
| CHEMBL225072 | PEMETREXED | 4.0 | 1 | - |
| CHEMBL224974 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL34259 | METHOTREXATE | IC50 | = | 6.6 | nM | 8.18 |
| CHEMBL389643 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL225071 | RALTITREXED | IC50 | = | 23000.0 | nM | 4.64 |
| CHEMBL422395 | — | IC50 | = | 23000.0 | nM | 4.64 |
| CHEMBL225072 | PEMETREXED | IC50 | = | 230000.0 | nM | - |
| CHEMBL224974 | — | IC50 | > | 240000.0 | nM | - |