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Assay Detail

CHEMBL2183277

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

ADMET
Inhibition of human recombinant CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin as substrate after 20 mins by fluorescence assay
1
Total Activities
1
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

Discovery of (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate (BMS-927711): an oral calcitonin gene-related peptide (CGRP) antagonist in clinical trials for treating migraine.
Luo G, Chen L, Conway CM, Denton R, Keavy D, Signor L, Kostich W, Lentz KA, Santone KS, Schartman R, Browning M, Tong G, Houston JG, Houston JG, Dubowchik GM, Macor JE.
J Med Chem (2012) 55 : 10644 -10651
PubMed 23153230 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 1 4.77 4.77

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2178422 RIMEGEPANT 4.0 1 4.77

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2178422 RIMEGEPANT IC50 = 17000.0 nM 4.77