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Assay Detail

CHEMBL4199969

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

ADMET
Inhibition of CYP3A4 (unknown origin) preincubated followed by substrate addition
4
Total Activities
4
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 3A4 (CHEMBL340)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
Boga SB, Deng Y, Zhu L, Nan Y, Cooper AB, Shipps GW, Doll R, Shih NY, Zhu H, Sun R, Wang T, Paliwal S, Tsui HC, Gao X, Yao X, Desai J, Wang J, Alhassan AB, Kelly J, Patel M, Muppalla K, Gudipati S, Zhang LK, Buevich A, Hesk D, Carr D, Dayananth P, Black S, Mei H, Cox K, Sherborne B, Hruza AW, Xiao L, Jin W, Long B, Liu G, Taylor SA, Kirschmeier P, Windsor WT, Bishop R, Samatar AA.
ACS Med Chem Lett (2018) 9 : 761 -767
PubMed 30034615 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 4 6.15 6.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4218701 1 6.52
CHEMBL4213970 MK-8353 1.0 1 5.77
CHEMBL3590107 1 -
CHEMBL3645235 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4218701 IC50 = 300.0 nM 6.52
CHEMBL4213970 MK-8353 IC50 = 1700.0 nM 5.77
CHEMBL3590107 IC50 = 5700000.0 nM -
CHEMBL3645235 IC50 = 2000000.0 nM -