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Assay Detail

CHEMBL1008010

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

ADMET
Inhibition of human CYP3A4 expressed in Escherichia coli using diethoxyfluorescein substrate measured in 25 to 30 mins by time dependent inhibition assay
2
Total Activities
2
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 N-(3-fluorophenyl)-1-[(4-([(3S)-3-methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinamine (GSK962040), the first small molecule motilin receptor agonist clinical candidate.
Westaway SM, Brown SL, Fell SC, Johnson CN, MacPherson DT, Mitchell DJ, Myatt JW, Stanway SJ, Seal JT, Stemp G, Thompson M, Lawless K, McKay F, Muir AI, Barford JM, Cluff C, Mahmood SR, Matthews KL, Mohamed S, Smith B, Stevens AJ, Bolton VJ, Jarvie EM, Sanger GJ.
J Med Chem (2009) 52 : 1180 -1189
PubMed 19191554 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 2 6.29 6.72

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL532 ERYTHROMYCIN 4.0 1 6.72
CHEMBL473921 1 5.85

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL532 ERYTHROMYCIN IC50 = 190.0 nM 6.72
CHEMBL473921 IC50 = 1400.0 nM 5.85