Assay Detail
Binding
CHEMBL668408
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Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)
15
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Plasmodium falciparum |
| Confidence | 8 — Homologous single protein target |
| Curated By | Intermediate |
Target
Bifunctional dihydrofolate reductase-thymidylate synthase (CHEMBL1939) ↗| Type | SINGLE PROTEIN |
| Organism | Plasmodium falciparum K1 |
Publication
Docking and database screening reveal new classes of Plasmodium falciparum dihydrofolate reductase inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 15 | 5.60 | 8.82 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL36 | PYRIMETHAMINE | 4.0 | 1 | 8.82 |
| CHEMBL747 | CYCLOGUANIL | 2.0 | 1 | 8.59 |
| CHEMBL97598 | — | — | 1 | 6.05 |
| CHEMBL186838 | — | — | 1 | 5.62 |
| CHEMBL95567 | — | — | 1 | 5.44 |
| CHEMBL94470 | — | — | 1 | 5.28 |
| CHEMBL95725 | — | — | 1 | 5.01 |
| CHEMBL323554 | — | — | 1 | 4.95 |
| CHEMBL95783 | — | — | 1 | 4.86 |
| CHEMBL95615 | — | — | 1 | 4.82 |
| CHEMBL243185 | PHENYLTHIOSEMICARBAZONE | — | 1 | 4.63 |
| CHEMBL365894 | — | — | 1 | 4.60 |
| CHEMBL95274 | — | — | 1 | 4.11 |
| CHEMBL97488 | — | — | 1 | - |
| CHEMBL95609 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL36 | PYRIMETHAMINE | Ki | = | 1.5 | nM | 8.82 |
| CHEMBL747 | CYCLOGUANIL | Ki | = | 2.6 | nM | 8.59 |
| CHEMBL97598 | — | Ki | = | 900.0 | nM | 6.05 |
| CHEMBL186838 | — | Ki | = | 2400.0 | nM | 5.62 |
| CHEMBL95567 | — | Ki | = | 3600.0 | nM | 5.44 |
| CHEMBL94470 | — | Ki | = | 5200.0 | nM | 5.28 |
| CHEMBL95725 | — | Ki | = | 9700.0 | nM | 5.01 |
| CHEMBL323554 | — | Ki | = | 11300.0 | nM | 4.95 |
| CHEMBL95783 | — | Ki | = | 13700.0 | nM | 4.86 |
| CHEMBL95615 | — | Ki | = | 15200.0 | nM | 4.82 |
| CHEMBL243185 | PHENYLTHIOSEMICARBAZONE | Ki | = | 23600.0 | nM | 4.63 |
| CHEMBL365894 | — | Ki | = | 25200.0 | nM | 4.60 |
| CHEMBL95274 | — | Ki | = | 77200.0 | nM | 4.11 |
| CHEMBL97488 | — | Ki | - | nM | - | |
| CHEMBL95609 | — | Ki | = | 102000.0 | nM | - |