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Assay Detail

CHEMBL5152195

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

ADMET
Inhibition of CYP2D6 in human liver microsomes incubated for 20 mins in presence of NADPH by LC-MS/MS analysis
2
Total Activities
2
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Tissue Liver
Subcellular Microsome
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Cytochrome P450 2D6 (CHEMBL289)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Identification of C5-NH<sub>2</sub> Modified Oseltamivir Derivatives as Novel Influenza Neuraminidase Inhibitors with Highly Improved Antiviral Activities and Favorable Druggability.
Ju H, Murugan NA, Hou L, Li P, Guizzo L, Zhang Y, Bertagnin C, Kong X, Kang D, Jia R, Ma X, Du R, Poongavanam V, Loregian A, Huang B, Liu X, Zhan P.
J Med Chem (2021) 64 : 17992 -18009
PubMed 34735766 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 2 5.58 6.92

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1294 QUINIDINE 4.0 1 6.92
CHEMBL5181864 1 4.23

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1294 QUINIDINE IC50 = 120.0 nM 6.92
CHEMBL5181864 IC50 = 58900.0 nM 4.23