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Assay Detail

CHEMBL5160040

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Toxicity
Inhibition of hERG by Qpatch-clamp method
28
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Toxicity
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Publication

Discovery and Preclinical Pharmacology of INE963, a Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cures in Uncomplicated Malaria.
Taft BR, Yokokawa F, Kirrane T, Mata AC, Huang R, Blaquiere N, Waldron G, Zou B, Simon O, Vankadara S, Chan WL, Ding M, Sim S, Straimer J, Guiguemde A, Lakshminarayana SB, Jain JP, Bodenreider C, Thompson C, Lanshoeft C, Shu W, Fang E, Qumber J, Chan K, Pei L, Chen YL, Schulz H, Lim J, Abas SN, Ang X, Liu Y, Angulo-Barturen I, Jiménez-Díaz MB, Gamo FJ, Crespo-Fernandez B, Rosenthal PJ, Cooper RA, Tumwebaze P, Aguiar ACC, Campo B, Campbell S, Wagner J, Diagana TT, Sarko C.
J Med Chem (2022) 65 : 3798 -3813
PubMed 35229610 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 28 4.79 5.62

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5189523 1 5.62
CHEMBL5190339 2 5.06
CHEMBL5169763 2 5.04
CHEMBL5200418 1 4.91
CHEMBL5199435 1 4.75
CHEMBL5178777 2 4.75
CHEMBL5181112 1 4.73
CHEMBL5198037 2 4.67
CHEMBL5173722 1 4.67
CHEMBL5179988 1 4.66
CHEMBL5173264 INE-963 2.0 1 4.64
CHEMBL5174770 1 4.56
CHEMBL5178067 2 4.55
CHEMBL5197907 2 4.54
CHEMBL5188137 1 -
CHEMBL5187715 2 -
CHEMBL5187946 2 -
CHEMBL5174065 1 -
CHEMBL5185965 2 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5189523 IC50 = 2400.0 nM 5.62
CHEMBL5190339 IC50 = 8800.0 nM 5.06
CHEMBL5169763 IC50 = 9200.0 nM 5.04
CHEMBL5200418 IC50 = 12300.0 nM 4.91
CHEMBL5190339 IC50 = 13900.0 nM 4.86
CHEMBL5169763 IC50 = 14400.0 nM 4.84
CHEMBL5199435 IC50 = 17700.0 nM 4.75
CHEMBL5178777 IC50 = 17800.0 nM 4.75
CHEMBL5181112 IC50 = 18500.0 nM 4.73
CHEMBL5173722 IC50 = 21500.0 nM 4.67
CHEMBL5198037 IC50 = 21300.0 nM 4.67
CHEMBL5179988 IC50 = 22000.0 nM 4.66
CHEMBL5178777 IC50 = 21900.0 nM 4.66
CHEMBL5173264 INE-963 IC50 = 23000.0 nM 4.64
CHEMBL5174770 IC50 = 27500.0 nM 4.56
CHEMBL5178067 IC50 = 28300.0 nM 4.55
CHEMBL5197907 IC50 = 28500.0 nM 4.54
CHEMBL5197907 IC50 > 30000.0 nM -
CHEMBL5187715 IC50 > 30000.0 nM -
CHEMBL5187715 IC50 > 30000.0 nM -
CHEMBL5178067 IC50 > 30000.0 nM -
CHEMBL5187946 IC50 > 30000.0 nM -
CHEMBL5188137 IC50 > 30000.0 nM -
CHEMBL5187946 IC50 > 30000.0 nM -
CHEMBL5198037 IC50 > 30000.0 nM -
CHEMBL5185965 IC50 > 30000.0 nM -
CHEMBL5174065 IC50 > 30000.0 nM -
CHEMBL5185965 IC50 > 30000.0 nM -