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Assay Detail

CHEMBL3363902

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

ADMET
Inhibition of recombinant human CYP1A2 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay
7
Total Activities
7
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 1A2 (CHEMBL3356)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis and biological evaluation of 3-phenethylazetidine derivatives as triple reuptake inhibitors.
Yun J, Han M, Song C, Cheon SH, Choi K, Hahn HG.
Bioorg Med Chem Lett (2014) 24 : 3234 -3237
PubMed 24974340 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 7 4.95 6.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL592374 AMITIFADINE 2.0 1 6.10
CHEMBL1175 DULOXETINE 4.0 1 5.28
CHEMBL3310485 1 4.89
CHEMBL3310483 1 4.82
CHEMBL3310486 1 4.72
CHEMBL283196 ALPHA-NAPHTHOFLAVONE 1 4.50
CHEMBL3310484 1 4.36

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL592374 AMITIFADINE IC50 = 800.0 nM 6.10
CHEMBL1175 DULOXETINE IC50 = 5300.0 nM 5.28
CHEMBL3310485 IC50 = 13000.0 nM 4.89
CHEMBL3310483 IC50 = 15000.0 nM 4.82
CHEMBL3310486 IC50 = 19000.0 nM 4.72
CHEMBL283196 ALPHA-NAPHTHOFLAVONE IC50 = 32000.0 nM 4.50
CHEMBL3310484 IC50 = 44000.0 nM 4.36