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Assay Detail

CHEMBL4190139

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

ADMET
Inhibition of C-terminal His-tagged recombinant human CYP3A4 assessed as decrease in metabolism of luciferin isopropyl alcohol preincubated for 3 mins followed by NADPH addition measured after 30 mins
2
Total Activities
2
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

Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
Fehl C, Vogt CD, Yadav R, Li K, Scott EE, Aubé J.
J Med Chem (2018) 61 : 4946 -4960
PubMed 29792703 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 2 5.86 6.64

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL254328 ABIRATERONE 3.0 1 6.64
CHEMBL4214976 1 5.07

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL254328 ABIRATERONE IC50 = 230.0 nM 6.64
CHEMBL4214976 IC50 = 8570.0 nM 5.07