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Assay Detail

CHEMBL5157201

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Binding
Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition by UV spectrophotometric analysis
37
Total Activities
37
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Xanthine dehydrogenase/oxidase (CHEMBL1929)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Intramolecular hydrogen bond interruption and scaffold hopping of TMC-5 led to 2-(4-alkoxy-3-cyanophenyl)pyrimidine-4/5-carboxylic acids and 6-(4-alkoxy-3-cyanophenyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-ones as potent pyrimidine-based xanthine oxidase inhibitors.
Zhao J, Mao Q, Lin F, Zhang B, Sun M, Zhang T, Wang S.
Eur J Med Chem (2022) 229 : 114086 -114086
PubMed 34992040 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 6.97 7.55

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1164729 FEBUXOSTAT 4.0 1 7.55
CHEMBL4445985 1 7.54
CHEMBL5178809 1 7.41
CHEMBL5197177 1 7.41
CHEMBL5196996 1 7.37
CHEMBL5191517 1 7.36
CHEMBL5179253 1 7.35
CHEMBL5193655 1 7.31
CHEMBL5180223 1 7.30
CHEMBL5206769 1 7.29
CHEMBL5196602 1 7.28
CHEMBL5186383 1 7.27
CHEMBL5183372 1 7.24
CHEMBL5189353 1 7.21
CHEMBL5187769 1 7.17
CHEMBL5202331 1 7.17
CHEMBL5191800 1 7.14
CHEMBL5185700 1 7.10
CHEMBL5203944 1 7.03
CHEMBL5205761 1 7.02
CHEMBL5175675 1 7.00
CHEMBL5190253 1 6.97
CHEMBL5172810 1 6.95
CHEMBL5170165 1 6.92
CHEMBL5187940 1 6.87
CHEMBL5192199 1 6.86
CHEMBL5173648 1 6.86
CHEMBL5177547 1 6.83
CHEMBL5199185 1 6.82
CHEMBL5185716 1 6.79

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1164729 FEBUXOSTAT IC50 = 28.0 nM 7.55
CHEMBL4445985 IC50 = 29.0 nM 7.54
CHEMBL5197177 IC50 = 39.0 nM 7.41
CHEMBL5178809 IC50 = 39.0 nM 7.41
CHEMBL5196996 IC50 = 43.0 nM 7.37
CHEMBL5191517 IC50 = 44.0 nM 7.36
CHEMBL5179253 IC50 = 45.0 nM 7.35
CHEMBL5193655 IC50 = 49.0 nM 7.31
CHEMBL5180223 IC50 = 50.0 nM 7.30
CHEMBL5206769 IC50 = 51.0 nM 7.29
CHEMBL5196602 IC50 = 53.0 nM 7.28
CHEMBL5186383 IC50 = 54.0 nM 7.27
CHEMBL5183372 IC50 = 57.0 nM 7.24
CHEMBL5189353 IC50 = 62.0 nM 7.21
CHEMBL5202331 IC50 = 68.0 nM 7.17
CHEMBL5187769 IC50 = 68.0 nM 7.17
CHEMBL5191800 IC50 = 72.0 nM 7.14
CHEMBL5185700 IC50 = 80.0 nM 7.10
CHEMBL5203944 IC50 = 94.0 nM 7.03
CHEMBL5205761 IC50 = 96.0 nM 7.02
CHEMBL5175675 IC50 = 99.0 nM 7.00
CHEMBL5190253 IC50 = 107.0 nM 6.97
CHEMBL5172810 IC50 = 113.0 nM 6.95
CHEMBL5170165 IC50 = 121.0 nM 6.92
CHEMBL5187940 IC50 = 134.0 nM 6.87
CHEMBL5192199 IC50 = 138.0 nM 6.86
CHEMBL5173648 IC50 = 138.0 nM 6.86
CHEMBL5177547 IC50 = 147.0 nM 6.83
CHEMBL5199185 IC50 = 151.0 nM 6.82
CHEMBL5185716 IC50 = 163.0 nM 6.79
CHEMBL5207426 IC50 = 188.0 nM 6.73
CHEMBL5174688 IC50 = 242.0 nM 6.62
CHEMBL5189770 IC50 = 248.0 nM 6.61
CHEMBL5197680 IC50 = 365.0 nM 6.44
CHEMBL5169480 IC50 = 725.0 nM 6.14
CHEMBL5188474 IC50 = 1739.0 nM 5.76
CHEMBL1467 ALLOPURINOL IC50 = 7590.0 nM 5.12