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Assay Detail

CHEMBL1664607

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

ADMET
Inhibition of human CYP3A4
5
Total Activities
5
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

New drug-like hydroxyphenylnaphthol steroidomimetics as potent and selective 17β-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of estrogen-dependent diseases.
Marchais-Oberwinkler S, Wetzel M, Ziegler E, Kruchten P, Werth R, Henn C, Hartmann RW, Frotscher M.
J Med Chem (2011) 54 : 534 -547
PubMed 21189020 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 5 6.58 7.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1650652 1 7.40
CHEMBL157101 KETOCONAZOLE 4.0 1 7.30
CHEMBL1650645 1 6.66
CHEMBL1650654 1 5.97
CHEMBL469227 1 5.56

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1650652 IC50 = 40.0 nM 7.40
CHEMBL157101 KETOCONAZOLE IC50 = 50.0 nM 7.30
CHEMBL1650645 IC50 = 220.0 nM 6.66
CHEMBL1650654 IC50 = 1070.0 nM 5.97
CHEMBL469227 IC50 = 2770.0 nM 5.56