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Assay Detail

CHEMBL4843602

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

ADMET
Transactivation of PXR (unknown origin)
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Nuclear receptor subfamily 1 group I member 2 (CHEMBL3401)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Invention of MK-8262, a Cholesteryl Ester Transfer Protein (CETP) Inhibitor Backup to Anacetrapib with Best-in-Class Properties.
Vachal P, Duffy JL, Campeau LC, Amin RP, Mitra K, Murphy BA, Shao PP, Sinclair PJ, Ye F, Katipally R, Lu Z, Ondeyka D, Chen YH, Zhao K, Sun W, Tyagarajan S, Bao J, Wang SP, Cote J, Lipardi C, Metzger D, Leung D, Hartmann G, Wollenberg GK, Liu J, Tan L, Xu Y, Chen Q, Liu G, Blaustein RO, Johns DG.
J Med Chem (2021) 64 : 13215 -13258
PubMed 34375108 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 13 5.54 6.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4857594 1 6.52
CHEMBL4846038 1 5.70
CHEMBL1800622 1 5.58
CHEMBL1800807 ANACETRAPIB 3.0 1 5.41
CHEMBL4876714 1 5.12
CHEMBL4868133 1 4.89
CHEMBL4850728 1 -
CHEMBL4875002 1 -
CHEMBL4859118 1 -
CHEMBL4849688 1 -
CHEMBL4858285 1 -
CHEMBL4873416 1 -
CHEMBL4875851 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4857594 EC50 = 300.0 nM 6.52
CHEMBL4846038 EC50 = 2000.0 nM 5.70
CHEMBL1800622 EC50 = 2600.0 nM 5.58
CHEMBL1800807 ANACETRAPIB EC50 = 3900.0 nM 5.41
CHEMBL4876714 EC50 = 7500.0 nM 5.12
CHEMBL4868133 EC50 = 13000.0 nM 4.89
CHEMBL4850728 EC50 > 30000.0 nM -
CHEMBL4875002 EC50 > 30000.0 nM -
CHEMBL4859118 EC50 > 30000.0 nM -
CHEMBL4849688 EC50 > 30000.0 nM -
CHEMBL4858285 EC50 - -
CHEMBL4873416 EC50 > 30000.0 nM -
CHEMBL4875851 EC50 > 30000.0 nM -