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Assay Detail

CHEMBL2174117

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Binding
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay
ChEMBL ↗
46
Total Activities
43
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 46 4.94 5.86

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2171113 — — 1 5.86
CHEMBL2170943 — — 1 5.72
CHEMBL2170936 — — 1 5.69
CHEMBL2170938 — — 1 5.58
CHEMBL2170940 — — 1 5.54
CHEMBL2170929 — — 1 5.48
CHEMBL2170937 — — 1 5.41
CHEMBL2170945 — — 1 5.40
CHEMBL2170935 — — 1 5.38
CHEMBL2170939 — — 1 5.38
CHEMBL2170944 — — 1 5.33
CHEMBL2170923 — — 2 5.32
CHEMBL2170933 — — 1 5.30
CHEMBL2171111 — — 1 5.30
CHEMBL2170915 — — 1 5.06
CHEMBL2170912 — — 2 4.96
CHEMBL2170918 — — 1 4.96
CHEMBL2170934 — — 1 4.95
CHEMBL2171112 — — 2 4.95
CHEMBL2170930 — — 1 4.94
CHEMBL2170922 — — 1 4.74
CHEMBL2170925 — — 1 4.73
CHEMBL2170932 — — 1 4.71
CHEMBL1337166 — — 1 4.65
CHEMBL2170916 — — 1 4.62
CHEMBL2171110 — — 1 4.61
CHEMBL2170926 — — 1 4.61
CHEMBL2170927 — — 1 4.57
CHEMBL2170931 — — 1 4.47
CHEMBL2170910 — — 1 4.46

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2171113 — IC50 = 1370.0 nM 5.86
CHEMBL2170943 — IC50 = 1900.0 nM 5.72
CHEMBL2170936 — IC50 = 2060.0 nM 5.69
CHEMBL2170938 — IC50 = 2610.0 nM 5.58
CHEMBL2170940 — IC50 = 2880.0 nM 5.54
CHEMBL2170929 — IC50 = 3300.0 nM 5.48
CHEMBL2170937 — IC50 = 3890.0 nM 5.41
CHEMBL2170945 — IC50 = 4000.0 nM 5.40
CHEMBL2170935 — IC50 = 4130.0 nM 5.38
CHEMBL2170939 — IC50 = 4200.0 nM 5.38
CHEMBL2170944 — IC50 = 4700.0 nM 5.33
CHEMBL2170923 — IC50 = 4800.0 nM 5.32
CHEMBL2171111 — IC50 = 5000.0 nM 5.30
CHEMBL2170933 — IC50 = 5010.0 nM 5.30
CHEMBL2170915 — IC50 = 8800.0 nM 5.06
CHEMBL2170923 — IC50 = 9400.0 nM 5.03
CHEMBL2170912 — IC50 = 11000.0 nM 4.96
CHEMBL2170918 — IC50 = 11000.0 nM 4.96
CHEMBL2170934 — IC50 = 11300.0 nM 4.95
CHEMBL2171112 — IC50 = 11200.0 nM 4.95
CHEMBL2170930 — IC50 = 11600.0 nM 4.94
CHEMBL2170922 — IC50 = 18400.0 nM 4.74
CHEMBL2170925 — IC50 = 18800.0 nM 4.73
CHEMBL2170932 — IC50 = 19700.0 nM 4.71
CHEMBL1337166 — IC50 = 22300.0 nM 4.65
CHEMBL2170916 — IC50 = 24000.0 nM 4.62
CHEMBL2171110 — IC50 = 24400.0 nM 4.61
CHEMBL2170926 — IC50 = 24500.0 nM 4.61
CHEMBL2170912 — IC50 = 25200.0 nM 4.60
CHEMBL2170927 — IC50 = 27200.0 nM 4.57
CHEMBL2170931 — IC50 = 34200.0 nM 4.47
CHEMBL2170910 — IC50 = 35000.0 nM 4.46
CHEMBL2171112 — IC50 = 38400.0 nM 4.42
CHEMBL2170920 — IC50 = 43600.0 nM 4.36
CHEMBL2170924 — IC50 = 44900.0 nM 4.35
CHEMBL2170909 — IC50 = 45200.0 nM 4.34
CHEMBL2170928 — IC50 = 45900.0 nM 4.34
CHEMBL2170907 — IC50 = 58500.0 nM 4.23
CHEMBL2169897 — IC50 = 67800.0 nM 4.17
CHEMBL2170908 — IC50 > 80000.0 nM -
CHEMBL2170919 — IC50 > 80000.0 nM -
CHEMBL2170917 — IC50 > 80000.0 nM -
CHEMBL2170914 — IC50 > 80000.0 nM -
CHEMBL2170911 — IC50 > 80000.0 nM -
CHEMBL2170913 — IC50 > 80000.0 nM -
CHEMBL2170921 — IC50 > 80000.0 nM -