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Assay Detail

CHEMBL2174120

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Binding
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay
48
Total Activities
45
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Plasmodium falciparum
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Glucose-6-phosphate 1-dehydrogenase (CHEMBL2169726)
Type SINGLE PROTEIN
Organism Plasmodium falciparum

Publication

Discovery of a Plasmodium falciparum glucose-6-phosphate dehydrogenase 6-phosphogluconolactonase inhibitor (R,Z)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxamide (ML276) that reduces parasite growth in vitro.
Preuss J, Maloney P, Peddibhotla S, Hedrick MP, Hershberger P, Gosalia P, Milewski M, Li YL, Sugarman E, Hood B, Suyama E, Nguyen K, Vasile S, Sergienko E, Mangravita-Novo A, Vicchiarelli M, McAnally D, Smith LH, Roth GP, Diwan J, Chung TD, Jortzik E, Rahlfs S, Becker K, Pinkerton AB, Bode L.
J Med Chem (2012) 55 : 7262 -7272
PubMed 22813531 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 48 5.04 6.05

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2170943 1 6.05
CHEMBL2170936 1 5.85
CHEMBL2170938 1 5.78
CHEMBL2171113 1 5.76
CHEMBL2170935 1 5.63
CHEMBL2170940 1 5.62
CHEMBL2170929 1 5.59
CHEMBL2170945 1 5.51
CHEMBL2170939 1 5.37
CHEMBL2170930 1 5.36
CHEMBL2170937 1 5.24
CHEMBL2171111 1 5.23
CHEMBL2170933 1 5.23
CHEMBL2170944 1 5.18
CHEMBL2170923 2 5.16
CHEMBL2170932 1 5.08
CHEMBL2170922 1 5.06
CHEMBL1337166 1 5.03
CHEMBL2170912 2 5.02
CHEMBL2170934 1 5.01
CHEMBL2170914 1 4.96
CHEMBL2170915 1 4.93
CHEMBL2170925 1 4.84
CHEMBL2170924 1 4.79
CHEMBL2171112 2 4.78
CHEMBL2170931 1 4.75
CHEMBL2170916 1 4.67
CHEMBL2170909 1 4.64
CHEMBL2170919 1 4.39
CHEMBL2170910 1 4.35

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2170943 IC50 = 900.0 nM 6.05
CHEMBL2170936 IC50 = 1410.0 nM 5.85
CHEMBL2170938 IC50 = 1650.0 nM 5.78
CHEMBL2171113 IC50 = 1750.0 nM 5.76
CHEMBL2170935 IC50 = 2350.0 nM 5.63
CHEMBL2170940 IC50 = 2390.0 nM 5.62
CHEMBL2170929 IC50 = 2560.0 nM 5.59
CHEMBL2170945 IC50 = 3100.0 nM 5.51
CHEMBL2170939 IC50 = 4280.0 nM 5.37
CHEMBL2170930 IC50 = 4420.0 nM 5.36
CHEMBL2170937 IC50 = 5720.0 nM 5.24
CHEMBL2171111 IC50 = 5900.0 nM 5.23
CHEMBL2170933 IC50 = 5930.0 nM 5.23
CHEMBL2170944 IC50 = 6600.0 nM 5.18
CHEMBL2170923 IC50 = 6900.0 nM 5.16
CHEMBL2170923 IC50 = 7400.0 nM 5.13
CHEMBL2170932 IC50 = 8230.0 nM 5.08
CHEMBL2170922 IC50 = 8800.0 nM 5.06
CHEMBL1337166 IC50 = 9300.0 nM 5.03
CHEMBL2170912 IC50 = 9500.0 nM 5.02
CHEMBL2170934 IC50 = 9790.0 nM 5.01
CHEMBL2170914 IC50 = 11100.0 nM 4.96
CHEMBL2170915 IC50 = 11800.0 nM 4.93
CHEMBL2170925 IC50 = 14500.0 nM 4.84
CHEMBL2170924 IC50 = 16200.0 nM 4.79
CHEMBL2170912 IC50 = 16200.0 nM 4.79
CHEMBL2171112 IC50 = 16700.0 nM 4.78
CHEMBL2171112 IC50 = 17500.0 nM 4.76
CHEMBL2170931 IC50 = 17900.0 nM 4.75
CHEMBL2170916 IC50 = 21600.0 nM 4.67
CHEMBL2170909 IC50 = 22700.0 nM 4.64
CHEMBL2170919 IC50 = 40900.0 nM 4.39
CHEMBL2170910 IC50 = 45000.0 nM 4.35
CHEMBL2170918 IC50 = 46600.0 nM 4.33
CHEMBL2170913 IC50 = 49700.0 nM 4.30
CHEMBL2170926 IC50 = 60000.0 nM 4.22
CHEMBL2170920 IC50 = 60000.0 nM 4.22
CHEMBL2170941 IC50 > 80000.0 nM -
CHEMBL2170942 IC50 > 80000.0 nM -
CHEMBL2171110 IC50 > 80000.0 nM -
CHEMBL2169897 IC50 > 80000.0 nM -
CHEMBL2170921 IC50 > 80000.0 nM -
CHEMBL2170927 IC50 > 80000.0 nM -
CHEMBL2170928 IC50 > 80000.0 nM -
CHEMBL2170917 IC50 > 80000.0 nM -
CHEMBL2170907 IC50 > 80000.0 nM -
CHEMBL2170908 IC50 > 80000.0 nM -
CHEMBL2170911 IC50 > 80000.0 nM -