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Assay Detail

CHEMBL1100432

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

ADMET
Inhibition of CYP3A4 using 7-benzyloxyquinoline substrate
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Evaluation of basic, heterocyclic ring systems as templates for use as potassium competitive acid blockers (pCABs).
Panchal T, Bailey N, Bamford M, Demont E, Elliott R, Farre-Gutierrez I, Garton N, Hayhow T, Hutley G, Naylor A.
Bioorg Med Chem Lett (2009) 19 : 6813 -6817
PubMed 19846298 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 18 5.11 5.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1080717 1 5.80
CHEMBL1079957 1 5.80
CHEMBL1076245 1 5.75
CHEMBL1079437 1 5.66
CHEMBL238146 1 5.41
CHEMBL1076192 1 5.37
CHEMBL1080473 1 5.18
CHEMBL1081505 1 5.05
CHEMBL1076210 1 5.02
CHEMBL1080982 1 4.96
CHEMBL497011 LINAPRAZAN 2.0 1 4.92
CHEMBL47529 1 4.92
CHEMBL1087758 1 4.85
CHEMBL1076536 1 4.75
CHEMBL1081870 1 4.68
CHEMBL1079436 1 4.66
CHEMBL1080472 1 4.05
CHEMBL1081504 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1080717 IC50 = 1600.0 nM 5.80
CHEMBL1079957 IC50 = 1600.0 nM 5.80
CHEMBL1076245 IC50 = 1800.0 nM 5.75
CHEMBL1079437 IC50 = 2200.0 nM 5.66
CHEMBL238146 IC50 = 3900.0 nM 5.41
CHEMBL1076192 IC50 = 4300.0 nM 5.37
CHEMBL1080473 IC50 = 6600.0 nM 5.18
CHEMBL1081505 IC50 = 9000.0 nM 5.05
CHEMBL1076210 IC50 = 9600.0 nM 5.02
CHEMBL1080982 IC50 = 11000.0 nM 4.96
CHEMBL497011 LINAPRAZAN IC50 = 12000.0 nM 4.92
CHEMBL47529 IC50 = 12000.0 nM 4.92
CHEMBL1087758 IC50 = 14000.0 nM 4.85
CHEMBL1076536 IC50 = 18000.0 nM 4.75
CHEMBL1081870 IC50 = 21000.0 nM 4.68
CHEMBL1079436 IC50 = 22000.0 nM 4.66
CHEMBL1080472 IC50 = 90000.0 nM 4.05
CHEMBL1081504 IC50 > 100000.0 nM -