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Assay Detail

CHEMBL3385971

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

ADMET
Inhibition of human recombinant CYP1A2 incubated for 5 mins by fluorescence assay
10
Total Activities
10
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

Exploration of 3-Aminoazetidines as Triple Reuptake Inhibitors by Bioisosteric Modification of 3-α-Oxyazetidine.
Han M, Song C, Jeong N, Hahn HG.
ACS Med Chem Lett (2014) 5 : 999 -1004
PubMed 25221656 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 10 4.97 6.24

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3331502 1 6.24
CHEMBL1175 DULOXETINE 4.0 1 5.28
CHEMBL3331506 1 5.03
CHEMBL3331503 1 4.97
CHEMBL3331469 1 4.90
CHEMBL3331507 1 4.86
CHEMBL3331484 1 4.71
CHEMBL283196 ALPHA-NAPHTHOFLAVONE 1 4.49
CHEMBL3331508 1 4.28
CHEMBL3331504 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3331502 IC50 = 570.0 nM 6.24
CHEMBL1175 DULOXETINE IC50 = 5300.0 nM 5.28
CHEMBL3331506 IC50 = 9390.0 nM 5.03
CHEMBL3331503 IC50 = 10600.0 nM 4.97
CHEMBL3331469 IC50 = 12700.0 nM 4.90
CHEMBL3331507 IC50 = 13900.0 nM 4.86
CHEMBL3331484 IC50 = 19300.0 nM 4.71
CHEMBL283196 ALPHA-NAPHTHOFLAVONE IC50 = 32600.0 nM 4.49
CHEMBL3331508 IC50 = 52700.0 nM 4.28
CHEMBL3331504 IC50 = 205000.0 nM -