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Assay Detail

CHEMBL4181677

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Binding
Inhibition of Plasmodium falciparum DHFR
9
Total Activities
9
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

Discovery of new antimalarial agents: Second-generation dual inhibitors against FP-2 and PfDHFR via fragments assembely.
Chen W, Huang Z, Wang W, Mao F, Guan L, Tang Y, Jiang H, Li J, Huang J, Jiang L, Zhu J.
Bioorg Med Chem (2017) 25 : 6467 -6478
PubMed 29111368 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 9 7.38 9.41

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL138060 1 9.41
CHEMBL545921 1 9.24
CHEMBL544227 CHLORCYCLOGUANIL HYDROCHLORIDE 1 8.82
CHEMBL2387269 1 8.34
CHEMBL36 PYRIMETHAMINE 4.0 1 7.24
CHEMBL34259 METHOTREXATE 4.0 1 7.08
CHEMBL3819601 1 6.64
CHEMBL1939368 1 5.20
CHEMBL549325 1 4.45

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL138060 IC50 = 0.39 nM 9.41
CHEMBL545921 IC50 = 0.57 nM 9.24
CHEMBL544227 CHLORCYCLOGUANIL HYDROCHLORIDE IC50 = 1.5 nM 8.82
CHEMBL2387269 IC50 = 4.6 nM 8.34
CHEMBL36 PYRIMETHAMINE IC50 = 58.0 nM 7.24
CHEMBL34259 METHOTREXATE IC50 = 84.0 nM 7.08
CHEMBL3819601 IC50 = 229.0 nM 6.64
CHEMBL1939368 IC50 = 6300.0 nM 5.20
CHEMBL549325 IC50 = 35500.0 nM 4.45