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Assay Detail

CHEMBL4009748

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

ADMET
Inhibition of human CYP3A4 assessed as inhibition of dealkylation
36
Total Activities
36
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

Development of New Benzenesulfonamides As Potent and Selective Nav1.7 Inhibitors for the Treatment of Pain.
Wu YJ, Guernon J, Shi J, Ditta J, Robbins KJ, Rajamani R, Easton A, Newton A, Bourin C, Mosure K, Soars MG, Knox RJ, Matchett M, Pieschl RL, Post-Munson DJ, Wang S, Herrington J, Graef J, Newberry K, Bristow LJ, Meanwell NA, Olson R, Thompson LA, Dzierba C.
J Med Chem (2017) 60 : 2513 -2525
PubMed 28234467 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 36 5.31 7.05

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4063378 1 7.05
CHEMBL4098912 1 6.57
CHEMBL4094887 1 6.55
CHEMBL4102633 1 6.37
CHEMBL4072007 1 6.35
CHEMBL4098978 1 6.24
CHEMBL4062566 1 6.17
CHEMBL4093720 1 6.11
CHEMBL4076627 1 5.64
CHEMBL4087898 1 5.52
CHEMBL4088581 1 5.23
CHEMBL4078252 1 5.17
CHEMBL4101437 1 5.17
CHEMBL4096711 1 5.10
CHEMBL4080712 1 5.05
CHEMBL4077266 1 5.01
CHEMBL4072107 1 4.77
CHEMBL4078268 1 4.70
CHEMBL4060154 1 4.70
CHEMBL4096299 1 4.70
CHEMBL4071551 1 4.70
CHEMBL4064193 1 4.70
CHEMBL4076444 1 4.70
CHEMBL4091922 1 4.70
CHEMBL4071098 1 4.70
CHEMBL4103940 1 4.70
CHEMBL4085278 1 4.70
CHEMBL4062380 1 4.70
CHEMBL4089010 1 4.70
CHEMBL4092078 1 4.70

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4063378 IC50 = 90.0 nM 7.05
CHEMBL4098912 IC50 = 270.0 nM 6.57
CHEMBL4094887 IC50 = 280.0 nM 6.55
CHEMBL4102633 IC50 = 430.0 nM 6.37
CHEMBL4072007 IC50 = 450.0 nM 6.35
CHEMBL4098978 IC50 = 580.0 nM 6.24
CHEMBL4062566 IC50 = 680.0 nM 6.17
CHEMBL4093720 IC50 = 780.0 nM 6.11
CHEMBL4076627 IC50 = 2300.0 nM 5.64
CHEMBL4087898 IC50 = 3000.0 nM 5.52
CHEMBL4088581 IC50 = 5900.0 nM 5.23
CHEMBL4101437 IC50 = 6700.0 nM 5.17
CHEMBL4078252 IC50 = 6700.0 nM 5.17
CHEMBL4096711 IC50 = 7900.0 nM 5.10
CHEMBL4080712 IC50 = 9000.0 nM 5.05
CHEMBL4077266 IC50 = 9800.0 nM 5.01
CHEMBL4072107 IC50 = 17000.0 nM 4.77
CHEMBL4060154 IC50 = 20000.0 nM 4.70
CHEMBL4092078 IC50 = 20000.0 nM 4.70
CHEMBL4089010 IC50 = 20000.0 nM 4.70
CHEMBL4062380 IC50 = 20000.0 nM 4.70
CHEMBL4085278 IC50 = 20000.0 nM 4.70
CHEMBL4103940 IC50 = 20000.0 nM 4.70
CHEMBL4071098 IC50 = 20000.0 nM 4.70
CHEMBL4091922 IC50 = 20000.0 nM 4.70
CHEMBL4076444 IC50 = 20000.0 nM 4.70
CHEMBL4064193 IC50 = 20000.0 nM 4.70
CHEMBL4071551 IC50 = 20000.0 nM 4.70
CHEMBL4096299 IC50 = 20000.0 nM 4.70
CHEMBL4078268 IC50 = 20000.0 nM 4.70
CHEMBL4098339 IC50 - -
CHEMBL4097237 IC50 - -
CHEMBL4067257 IC50 - -
CHEMBL4083450 IC50 - -
CHEMBL4091238 IC50 - -
CHEMBL4065188 IC50 - -