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Assay Detail

CHEMBL827820

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Binding
Inhibitory concentration against Toxoplasma gondii DHFR
23
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Toxoplasma gondii
Confidence 9 — Direct single protein target
Curated By Expert

Target

Bifunctional dihydrofolate reductase-thymidylate synthase (CHEMBL2425)
Type SINGLE PROTEIN
Organism Toxoplasma gondii

Publication

Design, synthesis, and antifolate activity of new analogues of piritrexim and other diaminopyrimidine dihydrofolate reductase inhibitors with omega-carboxyalkoxy or omega-carboxy-1-alkynyl substitution in the side chain.
Chan DC, Fu H, Forsch RA, Queener SF, Rosowsky A.
J Med Chem (2005) 48 : 4420 -4431
PubMed 15974594 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 8.06 9.34

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL190650 1 9.34
CHEMBL189952 1 8.72
CHEMBL188540 1 8.70
CHEMBL190199 1 8.64
CHEMBL190486 1 8.64
CHEMBL192835 1 8.49
CHEMBL189796 1 8.47
CHEMBL370239 1 8.39
CHEMBL187570 1 8.39
CHEMBL7492 PIRITREXIM 2.0 1 8.37
CHEMBL425893 1 8.37
CHEMBL187595 1 8.24
CHEMBL190026 1 8.24
CHEMBL190935 1 8.00
CHEMBL189953 1 7.96
CHEMBL435938 1 7.89
CHEMBL191071 1 7.82
CHEMBL190340 1 7.80
CHEMBL189012 1 7.68
CHEMBL300419 1 7.47
CHEMBL189369 1 7.11
CHEMBL190807 1 7.00
CHEMBL22 TRIMETHOPRIM 4.0 1 5.55

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL190650 IC50 = 0.46 nM 9.34
CHEMBL189952 IC50 = 1.9 nM 8.72
CHEMBL188540 IC50 = 2.0 nM 8.70
CHEMBL190199 IC50 = 2.3 nM 8.64
CHEMBL190486 IC50 = 2.3 nM 8.64
CHEMBL192835 IC50 = 3.2 nM 8.49
CHEMBL189796 IC50 = 3.4 nM 8.47
CHEMBL370239 IC50 = 4.1 nM 8.39
CHEMBL187570 IC50 = 4.1 nM 8.39
CHEMBL7492 PIRITREXIM IC50 = 4.3 nM 8.37
CHEMBL425893 IC50 = 4.3 nM 8.37
CHEMBL187595 IC50 = 5.8 nM 8.24
CHEMBL190026 IC50 = 5.8 nM 8.24
CHEMBL190935 IC50 = 10.0 nM 8.00
CHEMBL189953 IC50 = 11.0 nM 7.96
CHEMBL435938 IC50 = 13.0 nM 7.89
CHEMBL191071 IC50 = 15.0 nM 7.82
CHEMBL190340 IC50 = 16.0 nM 7.80
CHEMBL189012 IC50 = 21.0 nM 7.68
CHEMBL300419 IC50 = 34.0 nM 7.47
CHEMBL189369 IC50 = 77.0 nM 7.11
CHEMBL190807 IC50 = 100.0 nM 7.00
CHEMBL22 TRIMETHOPRIM IC50 = 2800.0 nM 5.55