Assay Detail
Binding
CHEMBL667623
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Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + 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 | 4.97 | 6.14 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL747 | CYCLOGUANIL | 2.0 | 1 | 6.14 |
| CHEMBL36 | PYRIMETHAMINE | 4.0 | 1 | 6.07 |
| CHEMBL97598 | — | — | 1 | 5.82 |
| CHEMBL94470 | — | — | 1 | 5.03 |
| CHEMBL95567 | — | — | 1 | 5.01 |
| CHEMBL95615 | — | — | 1 | 4.97 |
| CHEMBL95725 | — | — | 1 | 4.80 |
| CHEMBL323554 | — | — | 1 | 4.71 |
| CHEMBL95783 | — | — | 1 | 4.58 |
| CHEMBL365894 | — | — | 1 | 4.56 |
| CHEMBL186838 | — | — | 1 | 4.49 |
| CHEMBL95609 | — | — | 1 | 4.46 |
| CHEMBL95274 | — | — | 1 | 4.44 |
| CHEMBL243185 | PHENYLTHIOSEMICARBAZONE | — | 1 | 4.43 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL747 | CYCLOGUANIL | Ki | = | 730.0 | nM | 6.14 |
| CHEMBL36 | PYRIMETHAMINE | Ki | = | 860.0 | nM | 6.07 |
| CHEMBL97598 | — | Ki | = | 1500.0 | nM | 5.82 |
| CHEMBL94470 | — | Ki | = | 9300.0 | nM | 5.03 |
| CHEMBL95567 | — | Ki | = | 9700.0 | nM | 5.01 |
| CHEMBL95615 | — | Ki | = | 10600.0 | nM | 4.97 |
| CHEMBL95725 | — | Ki | = | 16000.0 | nM | 4.80 |
| CHEMBL323554 | — | Ki | = | 19400.0 | nM | 4.71 |
| CHEMBL95783 | — | Ki | = | 26500.0 | nM | 4.58 |
| CHEMBL365894 | — | Ki | = | 27800.0 | nM | 4.56 |
| CHEMBL186838 | — | Ki | = | 32600.0 | nM | 4.49 |
| CHEMBL95609 | — | Ki | = | 34500.0 | nM | 4.46 |
| CHEMBL95274 | — | Ki | = | 36600.0 | nM | 4.44 |
| CHEMBL243185 | PHENYLTHIOSEMICARBAZONE | Ki | = | 37200.0 | nM | 4.43 |