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Assay Detail

CHEMBL995203

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

ADMET
Inhibition of recombinant CYP3A4 by microtiter plate-based fluorimetric assay
22
Total Activities
22
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Zwitterionic uracil derivatives as potent GnRH receptor antagonists with improved pharmaceutical properties.
Regan CF, Guo Z, Chen Y, Huang CQ, Chen M, Jiang W, Rueter JK, Coon T, Chen C, Saunders J, Brown MS, Betz SF, Struthers RS, Yang C, Wen J, Madan A, Zhu YF.
Bioorg Med Chem Lett (2008) 18 : 4503 -4507
PubMed 18667310 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 22 5.02 7.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL434936 1 7.00
CHEMBL503624 1 6.46
CHEMBL455769 1 6.29
CHEMBL505033 1 5.09
CHEMBL447424 1 5.00
CHEMBL506338 1 5.00
CHEMBL448253 1 5.00
CHEMBL451916 1 4.89
CHEMBL449468 1 4.66
CHEMBL509347 1 4.66
CHEMBL444989 1 4.60
CHEMBL454774 1 4.55
CHEMBL499442 1 4.48
CHEMBL448656 1 4.44
CHEMBL509075 1 4.44
CHEMBL499849 1 4.44
CHEMBL509267 1 4.38
CHEMBL453441 1 -
CHEMBL502967 1 -
CHEMBL450414 1 -
CHEMBL452198 1 -
CHEMBL452474 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL434936 IC50 = 100.0 nM 7.00
CHEMBL503624 IC50 = 350.0 nM 6.46
CHEMBL455769 IC50 = 510.0 nM 6.29
CHEMBL505033 IC50 = 8200.0 nM 5.09
CHEMBL447424 IC50 = 10000.0 nM 5.00
CHEMBL506338 IC50 = 10000.0 nM 5.00
CHEMBL448253 IC50 = 10000.0 nM 5.00
CHEMBL451916 IC50 = 13000.0 nM 4.89
CHEMBL449468 IC50 = 22000.0 nM 4.66
CHEMBL509347 IC50 = 22000.0 nM 4.66
CHEMBL444989 IC50 = 25000.0 nM 4.60
CHEMBL454774 IC50 = 28000.0 nM 4.55
CHEMBL499442 IC50 = 33000.0 nM 4.48
CHEMBL448656 IC50 = 36000.0 nM 4.44
CHEMBL509075 IC50 = 36000.0 nM 4.44
CHEMBL499849 IC50 = 36000.0 nM 4.44
CHEMBL509267 IC50 = 42000.0 nM 4.38
CHEMBL453441 IC50 - -
CHEMBL502967 IC50 - -
CHEMBL450414 IC50 - -
CHEMBL452198 IC50 - -
CHEMBL452474 IC50 - -