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Assay Detail

CHEMBL1679409

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

ADMET
Inhibition of recombinant CYP3A4 after 30 mins
7
Total Activities
7
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Cytochrome P450 3A4 (CHEMBL340)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of phosphoric acid mono-{2-[(E/Z)-4-(3,3-dimethyl-butyrylamino)-3,5-difluoro-benzoylimino]-thiazol-3-ylmethyl} ester (Lu AA47070): a phosphonooxymethylene prodrug of a potent and selective hA(2A) receptor antagonist.
Sams AG, Mikkelsen GK, Larsen M, Langgård M, Howells ME, Schrøder TJ, Brennum LT, Torup L, Jørgensen EB, Bundgaard C, Kreilgård M, Bang-Andersen B.
J Med Chem (2011) 54 : 751 -764
PubMed 21210664 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 7 5.85 5.85

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1671916 1 5.85
CHEMBL1671922 1 -
CHEMBL1671921 1 -
CHEMBL1671918 1 -
CHEMBL1671917 1 -
CHEMBL431770 ISTRADEFYLLINE 4.0 1 -
CHEMBL1671936 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1671916 IC50 = 1400.0 nM 5.85
CHEMBL1671922 IC50 > 40000.0 nM -
CHEMBL1671921 IC50 > 40000.0 nM -
CHEMBL1671918 IC50 > 40000.0 nM -
CHEMBL1671917 IC50 > 40000.0 nM -
CHEMBL431770 ISTRADEFYLLINE IC50 > 40000.0 nM -
CHEMBL1671936 IC50 > 40000.0 nM -