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Assay Detail

CHEMBL4124011

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

ADMET
Inhibition of human CYP3A4 using testosterone as substrate by LC-MS/MS analysis
4
Total Activities
4
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

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

Publication

Design and synthesis of functionalized piperazin-1yl-(E)-stilbenes as inhibitors of 17α-hydroxylase-C17,20-lyase (Cyp17).
Blass BE, Iyer P, Abou-Gharbia M, Childers WE, Gordon JC, Ramanjulu M, Morton G, Arumugam P, Boruwa J, Ellingboe J, Mitra S, Reddy Nimmareddy R, Paliwal S, Rajasekhar J, Shivakumar S, Srivastava P, Tangirala RS, Venkataramanaiah K, Bobbala R, Yanamandra M, Krishnakanth Reddy L.
Bioorg Med Chem Lett (2018) 28 : 2270 -2274
PubMed 29803730 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 4 6.16 6.84

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL157101 KETOCONAZOLE 4.0 1 6.84
CHEMBL4126284 1 6.61
CHEMBL4129721 1 6.16
CHEMBL4128368 1 5.03

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL157101 KETOCONAZOLE IC50 = 146.0 nM 6.84
CHEMBL4126284 IC50 = 243.0 nM 6.61
CHEMBL4129721 IC50 = 695.0 nM 6.16
CHEMBL4128368 IC50 = 9360.0 nM 5.03