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Assay Detail

CHEMBL853201

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

ADMET
Inhibition of CYP3A4
20
Total Activities
20
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

3-[6-(2-Dimethylamino-1-imidazol-1-yl-butyl)-naphthalen-2-yloxy]-2,2-dimethyl-propionic acid as a highly potent and selective retinoic acid metabolic blocking agent.
Mulvihill MJ, Kan JL, Cooke A, Bhagwat S, Beck P, Bittner M, Cesario C, Keane D, Lazarescu V, Nigro A, Nillson C, Panicker B, Smith V, Srebernak M, Sun FL, O'Connor M, Russo S, Fischetti G, Vrkljan M, Winski S, Castelhano AL, Emerson D, Gibson NW.
Bioorg Med Chem Lett (2006) 16 : 2729 -2733
PubMed 16504501 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 20 5.64 6.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL207486 1 6.40
CHEMBL207411 1 6.35
CHEMBL208155 1 6.24
CHEMBL207304 1 6.10
CHEMBL205862 1 6.00
CHEMBL210780 1 5.77
CHEMBL382574 1 5.68
CHEMBL208158 1 5.67
CHEMBL207942 1 5.64
CHEMBL205280 1 5.64
CHEMBL208443 1 5.48
CHEMBL377286 1 5.28
CHEMBL208154 1 5.20
CHEMBL207345 1 5.16
CHEMBL206884 1 5.12
CHEMBL207638 1 5.10
CHEMBL377177 1 5.09
CHEMBL210569 1 -
CHEMBL204684 1 -
CHEMBL378132 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL207486 IC50 = 400.0 nM 6.40
CHEMBL207411 IC50 = 448.0 nM 6.35
CHEMBL208155 IC50 = 580.0 nM 6.24
CHEMBL207304 IC50 = 800.0 nM 6.10
CHEMBL205862 IC50 = 1010.0 nM 6.00
CHEMBL210780 IC50 = 1700.0 nM 5.77
CHEMBL382574 IC50 = 2100.0 nM 5.68
CHEMBL208158 IC50 = 2150.0 nM 5.67
CHEMBL207942 IC50 = 2300.0 nM 5.64
CHEMBL205280 IC50 = 2270.0 nM 5.64
CHEMBL208443 IC50 = 3300.0 nM 5.48
CHEMBL377286 IC50 = 5300.0 nM 5.28
CHEMBL208154 IC50 = 6300.0 nM 5.20
CHEMBL207345 IC50 = 7000.0 nM 5.16
CHEMBL206884 IC50 = 7500.0 nM 5.12
CHEMBL207638 IC50 = 8000.0 nM 5.10
CHEMBL377177 IC50 = 8200.0 nM 5.09
CHEMBL210569 IC50 - -
CHEMBL204684 IC50 > 20000.0 nM -
CHEMBL378132 IC50 > 20000.0 nM -