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Assay Detail

CHEMBL2354055

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ADMET
Inhibition of CYP1A1 (unknown origin)-mediated deethylation of resorufin ethyl ether after 5 mins by spectrofluorimetric analysis
10
Total Activities
10
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 1A1 (CHEMBL2231)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Pyranoflavones: a group of small-molecule probes for exploring the active site cavities of cytochrome P450 enzymes 1A1, 1A2, and 1B1.
Liu J, Taylor SF, Dupart PS, Arnold CL, Sridhar J, Jiang Q, Wang Y, Skripnikova EV, Zhao M, Foroozesh M.
J Med Chem (2013) 56 : 4082 -4092
PubMed 23600958 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 10 6.66 7.39

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2347919 1 7.39
CHEMBL283196 ALPHA-NAPHTHOFLAVONE 1 7.37
CHEMBL26260 BETA-NAPHTHOFLAVONE 1 7.27
CHEMBL2347912 1 6.96
CHEMBL2347755 1 6.82
CHEMBL2347756 1 6.57
CHEMBL2347754 1 6.50
CHEMBL2347911 1 6.46
CHEMBL117 CHRYSIN 1 5.89
CHEMBL16807 5-HYDROXYFLAVONE 1 5.39

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2347919 IC50 = 41.0 nM 7.39
CHEMBL283196 ALPHA-NAPHTHOFLAVONE IC50 = 43.0 nM 7.37
CHEMBL26260 BETA-NAPHTHOFLAVONE IC50 = 54.0 nM 7.27
CHEMBL2347912 IC50 = 110.0 nM 6.96
CHEMBL2347755 IC50 = 150.0 nM 6.82
CHEMBL2347756 IC50 = 270.0 nM 6.57
CHEMBL2347754 IC50 = 320.0 nM 6.50
CHEMBL2347911 IC50 = 350.0 nM 6.46
CHEMBL117 CHRYSIN IC50 = 1290.0 nM 5.89
CHEMBL16807 5-HYDROXYFLAVONE IC50 = 4030.0 nM 5.39