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Assay Detail

CHEMBL1019591

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

ADMET
Inhibition of CYP2D6
16
Total Activities
12
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

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

Target

Cytochrome P450 2D6 (CHEMBL289)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Urea based CCR3 antagonists employing a tetrahydro-1,3-oxazin-2-one spacer.
Dhar TG, Yang G, Davies P, Malley MF, Gougoutas JZ, Wu DR, Barrish JC, Carter PH.
Bioorg Med Chem Lett (2009) 19 : 96 -99
PubMed 19010676 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 15 5.21 7.52
Ki 1 5.58 5.58

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL363840 1 7.52
CHEMBL465272 3 5.68
CHEMBL399495 1 5.58
CHEMBL464902 1 5.37
CHEMBL461445 2 5.23
CHEMBL410959 1 5.13
CHEMBL505914 1 4.77
CHEMBL465291 1 4.68
CHEMBL518571 1 4.48
CHEMBL468695 2 4.40
CHEMBL465942 1 -
CHEMBL465943 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL363840 IC50 = 30.0 nM 7.52
CHEMBL465272 IC50 = 2100.0 nM 5.68
CHEMBL399495 Ki = 2600.0 nM 5.58
CHEMBL464902 IC50 = 4300.0 nM 5.37
CHEMBL461445 IC50 = 5900.0 nM 5.23
CHEMBL410959 IC50 = 7400.0 nM 5.13
CHEMBL461445 IC50 = 14000.0 nM 4.85
CHEMBL505914 IC50 = 17000.0 nM 4.77
CHEMBL465291 IC50 = 21000.0 nM 4.68
CHEMBL518571 IC50 = 33000.0 nM 4.48
CHEMBL468695 IC50 = 40000.0 nM 4.40
CHEMBL465942 IC50 - -
CHEMBL465943 IC50 - -
CHEMBL465272 IC50 - -
CHEMBL465272 IC50 - -
CHEMBL468695 IC50 - -