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Assay Detail

CHEMBL5610163

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

ADMET
Inhibition of recombinant CYP2D6 (unknown origin)
8
Total Activities
8
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 2D6 (CHEMBL289)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Exploring monocyclic core: Discovery of pyrrol-2-one derivatives as a new series of potent MCHR1 antagonists with in vivo efficacy.
A M Subbaiah M, Mandal U, Patankar V, Bhaskaran S, Nutakki R, Rami B, Shah DP, Mahammad S, Murphy BJ, Huang C, Robl JA, Washburn WN.
Eur J Med Chem (2024) 276 : 116686 -116686
PubMed 39053192 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 8 5.31 6.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5613131 1 6.40
CHEMBL5612929 1 6.22
CHEMBL5614007 1 5.17
CHEMBL5614058 1 5.17
CHEMBL5612296 1 5.11
CHEMBL5612188 1 5.06
CHEMBL5613587 1 4.82
CHEMBL214957 1 4.52

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5613131 IC50 = 400.0 nM 6.40
CHEMBL5612929 IC50 = 600.0 nM 6.22
CHEMBL5614007 IC50 = 6800.0 nM 5.17
CHEMBL5614058 IC50 = 6700.0 nM 5.17
CHEMBL5612296 IC50 = 7800.0 nM 5.11
CHEMBL5612188 IC50 = 8800.0 nM 5.06
CHEMBL5613587 IC50 = 15300.0 nM 4.82
CHEMBL214957 IC50 = 30000.0 nM 4.52