Assay Detail
ADMET
CHEMBL4390137
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Inhibition of recombinant human DHFR assessed as reduction in consumption of NADPH using 9 uM DHFA as substrate
16
Total Activities
16
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
Development of substituted pyrido[3,2-d]pyrimidines as potent and selective dihydrofolate reductase inhibitors for pneumocystis pneumonia infection.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 16 | 5.87 | 8.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL7492 | PIRITREXIM | 2.0 | 1 | 8.70 |
| CHEMBL4440383 | — | — | 1 | 6.04 |
| CHEMBL140940 | — | — | 1 | 6.03 |
| CHEMBL4449630 | — | — | 1 | 5.96 |
| CHEMBL4588482 | — | — | 1 | 5.87 |
| CHEMBL4589761 | — | — | 1 | 5.86 |
| CHEMBL139188 | — | — | 1 | 5.82 |
| CHEMBL4573954 | — | — | 1 | 5.80 |
| CHEMBL4571736 | — | — | 1 | 5.80 |
| CHEMBL4522888 | — | — | 1 | 5.74 |
| CHEMBL4522334 | — | — | 1 | 5.65 |
| CHEMBL141218 | — | — | 1 | 5.61 |
| CHEMBL4462778 | — | — | 1 | 5.58 |
| CHEMBL138419 | — | — | 1 | 5.50 |
| CHEMBL4469864 | — | — | 1 | 5.38 |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | 4.61 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL7492 | PIRITREXIM | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL4440383 | — | IC50 | = | 903.0 | nM | 6.04 |
| CHEMBL140940 | — | IC50 | = | 942.0 | nM | 6.03 |
| CHEMBL4449630 | — | IC50 | = | 1098.0 | nM | 5.96 |
| CHEMBL4588482 | — | IC50 | = | 1338.0 | nM | 5.87 |
| CHEMBL4589761 | — | IC50 | = | 1373.0 | nM | 5.86 |
| CHEMBL139188 | — | IC50 | = | 1526.0 | nM | 5.82 |
| CHEMBL4573954 | — | IC50 | = | 1576.0 | nM | 5.80 |
| CHEMBL4571736 | — | IC50 | = | 1571.0 | nM | 5.80 |
| CHEMBL4522888 | — | IC50 | = | 1808.0 | nM | 5.74 |
| CHEMBL4522334 | — | IC50 | = | 2253.0 | nM | 5.65 |
| CHEMBL141218 | — | IC50 | = | 2459.0 | nM | 5.61 |
| CHEMBL4462778 | — | IC50 | = | 2626.0 | nM | 5.58 |
| CHEMBL138419 | — | IC50 | = | 3185.0 | nM | 5.50 |
| CHEMBL4469864 | — | IC50 | = | 4125.0 | nM | 5.38 |
| CHEMBL22 | TRIMETHOPRIM | IC50 | = | 24500.0 | nM | 4.61 |