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Assay Detail

CHEMBL3767771

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

ADMET
Inhibition of CYP2D6 in human liver microsomes assessed as dextraomethorphan O-demethylation
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Tissue Liver
Subcellular Microsomes
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Cytochrome P450 2D6 (CHEMBL289)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of Vibegron: A Potent and Selective β3 Adrenergic Receptor Agonist for the Treatment of Overactive Bladder.
Edmondson SD, Zhu C, Kar NF, Di Salvo J, Nagabukuro H, Sacre-Salem B, Dingley K, Berger R, Goble SD, Morriello G, Harper B, Moyes CR, Shen DM, Wang L, Ball R, Fitzmaurice A, Frenkl T, Gichuru LN, Ha S, Hurley AL, Jochnowitz N, Levorse D, Mistry S, Miller RR, Ormes J, Salituro GM, Sanfiz A, Stevenson AS, Villa K, Zamlynny B, Green S, Struthers M, Weber AE.
J Med Chem (2016) 59 : 609 -623
PubMed 26709102 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 8 4.73 5.66

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1684585 1 5.66
CHEMBL111201 1 4.96
CHEMBL3764774 1 4.51
CHEMBL3763594 1 4.41
CHEMBL3128178 1 4.10
CHEMBL3128188 1 -
CHEMBL3764088 1 -
CHEMBL2107826 VIBEGRON 4.0 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1684585 IC50 = 2200.0 nM 5.66
CHEMBL111201 IC50 = 11000.0 nM 4.96
CHEMBL3764774 IC50 = 31000.0 nM 4.51
CHEMBL3763594 IC50 = 39000.0 nM 4.41
CHEMBL3128178 IC50 = 79000.0 nM 4.10
CHEMBL3128188 IC50 > 100000.0 nM -
CHEMBL3764088 IC50 > 100000.0 nM -
CHEMBL2107826 VIBEGRON IC50 > 100000.0 nM -