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Assay Detail

CHEMBL1013733

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

ADMET
Inhibition of CYP3A4 using phenyl-piperazinyl-methyl-benzyl-resofurin substrate
15
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Confidence 8 — Homologous single protein target
Curated By Intermediate

Target

Cytochrome P450 3A4 (CHEMBL340)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

The discovery of biaryl carboxamides as novel small molecule agonists of the motilin receptor.
Westaway SM, Brown SL, Conway E, Heightman TD, Johnson CN, Lapsley K, Macdonald GJ, MacPherson DT, Mitchell DJ, Myatt JW, Seal JT, Stanway SJ, Stemp G, Thompson M, Celestini P, Colombo A, Consonni A, Gagliardi S, Riccaboni M, Ronzoni S, Briggs MA, Matthews KL, Stevens AJ, Bolton VJ, Boyfield I, Jarvie EM, Stratton SC, Sanger GJ.
Bioorg Med Chem Lett (2008) 18 : 6429 -6436
PubMed 19006669 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 15 5.33 6.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL501315 1 6.40
CHEMBL479418 1 6.30
CHEMBL465941 1 5.82
CHEMBL465289 1 5.82
CHEMBL481575 1 5.46
CHEMBL480210 1 5.44
CHEMBL465925 1 5.25
CHEMBL464909 1 5.14
CHEMBL465948 1 5.05
CHEMBL518142 1 4.85
CHEMBL479419 1 4.77
CHEMBL465244 1 4.62
CHEMBL480219 1 4.34
CHEMBL516551 1 -
CHEMBL473921 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL501315 IC50 = 400.0 nM 6.40
CHEMBL479418 IC50 = 500.0 nM 6.30
CHEMBL465941 IC50 = 1500.0 nM 5.82
CHEMBL465289 IC50 = 1500.0 nM 5.82
CHEMBL481575 IC50 = 3500.0 nM 5.46
CHEMBL480210 IC50 = 3600.0 nM 5.44
CHEMBL465925 IC50 = 5600.0 nM 5.25
CHEMBL464909 IC50 = 7300.0 nM 5.14
CHEMBL465948 IC50 = 8900.0 nM 5.05
CHEMBL518142 IC50 = 14000.0 nM 4.85
CHEMBL479419 IC50 = 17000.0 nM 4.77
CHEMBL465244 IC50 = 24000.0 nM 4.62
CHEMBL480219 IC50 = 46000.0 nM 4.34
CHEMBL516551 IC50 > 100000.0 nM -
CHEMBL473921 IC50 > 100000.0 nM -