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Assay Detail

CHEMBL926355

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of Toxoplasma gondii DHFR
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Toxoplasma gondii
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Design, synthesis, and biological evaluation of classical and nonclassical 2-amino-4-oxo-5-substituted-6-methylpyrrolo[3,2-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.
Gangjee A, Li W, Yang J, Kisliuk RL.
J Med Chem (2008) 51 : 68 -76
PubMed 18072727 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 19 5.99 7.64

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL252132 1 7.64
CHEMBL34259 METHOTREXATE 4.0 1 7.48
CHEMBL389051 1 6.66
CHEMBL252338 1 6.57
CHEMBL253795 1 6.52
CHEMBL401073 1 6.48
CHEMBL252134 1 6.46
CHEMBL225072 PEMETREXED 4.0 1 6.37
CHEMBL429308 1 5.80
CHEMBL446714 1 5.75
CHEMBL253581 1 5.46
CHEMBL400304 1 5.41
CHEMBL22 TRIMETHOPRIM 4.0 1 5.17
CHEMBL401074 1 4.82
CHEMBL252133 1 4.70
CHEMBL253796 1 4.62
CHEMBL225180 1 -
CHEMBL400485 1 -
CHEMBL400364 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL252132 IC50 = 23.0 nM 7.64
CHEMBL34259 METHOTREXATE IC50 = 33.0 nM 7.48
CHEMBL389051 IC50 = 220.0 nM 6.66
CHEMBL252338 IC50 = 270.0 nM 6.57
CHEMBL253795 IC50 = 300.0 nM 6.52
CHEMBL401073 IC50 = 330.0 nM 6.48
CHEMBL252134 IC50 = 350.0 nM 6.46
CHEMBL225072 PEMETREXED IC50 = 430.0 nM 6.37
CHEMBL429308 IC50 = 1600.0 nM 5.80
CHEMBL446714 IC50 = 1800.0 nM 5.75
CHEMBL253581 IC50 = 3500.0 nM 5.46
CHEMBL400304 IC50 = 3900.0 nM 5.41
CHEMBL22 TRIMETHOPRIM IC50 = 6800.0 nM 5.17
CHEMBL401074 IC50 = 15000.0 nM 4.82
CHEMBL252133 IC50 = 20000.0 nM 4.70
CHEMBL253796 IC50 = 24000.0 nM 4.62
CHEMBL225180 IC50 - -
CHEMBL400485 IC50 - -
CHEMBL400364 IC50 - -