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Assay Detail

CHEMBL4331639

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ADMET
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Cytochrome P450 3A4 (CHEMBL340)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Development of posaconazole-based analogues as hedgehog signaling pathway inhibitors.
Teske KA, Dash RC, Morel SR, Chau LQ, Wechsler-Reya RJ, Hadden MK.
Eur J Med Chem (2019) 163 : 320 -332
PubMed 30529635 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 8 7.11 7.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL64391 ITRACONAZOLE 4.0 1 7.40
CHEMBL1397 POSACONAZOLE 4.0 1 6.82
CHEMBL4450683 1 -
CHEMBL4461707 1 -
CHEMBL4587117 1 -
CHEMBL4540110 1 -
CHEMBL4460235 1 -
CHEMBL4458878 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL64391 ITRACONAZOLE IC50 = 40.0 nM 7.40
CHEMBL1397 POSACONAZOLE IC50 = 150.0 nM 6.82
CHEMBL4450683 IC50 > 20000.0 nM -
CHEMBL4461707 IC50 - -
CHEMBL4587117 IC50 > 20000.0 nM -
CHEMBL4540110 IC50 > 20000.0 nM -
CHEMBL4460235 IC50 - -
CHEMBL4458878 IC50 - -