Assay Detail
Binding
CHEMBL667626
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Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutations
14
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Plasmodium falciparum |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
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 | 14 | 5.16 | 6.42 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL36 | PYRIMETHAMINE | 4.0 | 1 | 6.42 |
| CHEMBL97598 | — | — | 1 | 6.22 |
| CHEMBL747 | CYCLOGUANIL | 2.0 | 1 | 5.94 |
| CHEMBL95567 | — | — | 1 | 5.57 |
| CHEMBL323554 | — | — | 1 | 5.15 |
| CHEMBL95725 | — | — | 1 | 5.12 |
| CHEMBL95615 | — | — | 1 | 5.00 |
| CHEMBL94470 | — | — | 1 | 4.90 |
| CHEMBL95783 | — | — | 1 | 4.87 |
| CHEMBL186838 | — | — | 1 | 4.65 |
| CHEMBL365894 | — | — | 1 | 4.61 |
| CHEMBL243185 | PHENYLTHIOSEMICARBAZONE | — | 1 | 4.54 |
| CHEMBL95274 | — | — | 1 | 4.03 |
| CHEMBL95609 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL36 | PYRIMETHAMINE | Ki | = | 380.0 | nM | 6.42 |
| CHEMBL97598 | — | Ki | = | 600.0 | nM | 6.22 |
| CHEMBL747 | CYCLOGUANIL | Ki | = | 1140.0 | nM | 5.94 |
| CHEMBL95567 | — | Ki | = | 2700.0 | nM | 5.57 |
| CHEMBL323554 | — | Ki | = | 7100.0 | nM | 5.15 |
| CHEMBL95725 | — | Ki | = | 7500.0 | nM | 5.12 |
| CHEMBL95615 | — | Ki | = | 10000.0 | nM | 5.00 |
| CHEMBL94470 | — | Ki | = | 12500.0 | nM | 4.90 |
| CHEMBL95783 | — | Ki | = | 13400.0 | nM | 4.87 |
| CHEMBL186838 | — | Ki | = | 22200.0 | nM | 4.65 |
| CHEMBL365894 | — | Ki | = | 24400.0 | nM | 4.61 |
| CHEMBL243185 | PHENYLTHIOSEMICARBAZONE | Ki | = | 28900.0 | nM | 4.54 |
| CHEMBL95274 | — | Ki | = | 93000.0 | nM | 4.03 |
| CHEMBL95609 | — | Ki | = | 105000.0 | nM | - |