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Assay Detail

CHEMBL4140833

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

ADMET
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins by LC-MS/MS analysis
5
Total Activities
5
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 1A2 (CHEMBL3356)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of VU6005649, a CNS Penetrant mGlu7/8 Receptor PAM Derived from a Series of Pyrazolo[1,5-a]pyrimidines.
Abe M, Seto M, Gogliotti RG, Loch MT, Bollinger KA, Chang S, Engelberg EM, Luscombe VB, Harp JM, Bubser M, Engers DW, Jones CK, Rodriguez AL, Blobaum AL, Conn PJ, Niswender CM, Lindsley CW.
ACS Med Chem Lett (2017) 8 : 1110 -1115
PubMed 29057060 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 5 5.75 6.48

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4165248 1 6.48
CHEMBL2361777 1 6.16
CHEMBL4172016 1 5.53
CHEMBL4160748 1 5.51
CHEMBL4168668 1 5.06

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4165248 IC50 = 330.0 nM 6.48
CHEMBL2361777 IC50 = 690.0 nM 6.16
CHEMBL4172016 IC50 = 2930.0 nM 5.53
CHEMBL4160748 IC50 = 3080.0 nM 5.51
CHEMBL4168668 IC50 = 8670.0 nM 5.06