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Assay Detail

CHEMBL4017989

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

ADMET
Inhibition of recombinant human CYP1A2 expressed in insect cells using EOMCC as substrate pretreated for 10 mins followed by substrate addition measured every minute for 15 mins in presence of NADP+ by fluorescence assay
6
Total Activities
6
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

Cytochrome P450 binding studies of novel tacrine derivatives: Predicting the risk of hepatotoxicity.
McEneny-King A, Osman W, Edginton AN, Rao PPN.
Bioorg Med Chem Lett (2017) 27 : 2443 -2449
PubMed 28400237 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 6 5.52 6.62

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4075061 1 6.62
CHEMBL283196 ALPHA-NAPHTHOFLAVONE 1 6.47
CHEMBL95 TACRINE 4.0 1 5.82
CHEMBL4070182 1 5.07
CHEMBL4091851 1 4.65
CHEMBL4076034 1 4.48

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4075061 IC50 = 240.0 nM 6.62
CHEMBL283196 ALPHA-NAPHTHOFLAVONE IC50 = 340.0 nM 6.47
CHEMBL95 TACRINE IC50 = 1500.0 nM 5.82
CHEMBL4070182 IC50 = 8500.0 nM 5.07
CHEMBL4091851 IC50 = 22300.0 nM 4.65
CHEMBL4076034 IC50 = 33000.0 nM 4.48