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Assay Detail

CHEMBL3267683

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

Binding
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type CHO
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Orexin/Hypocretin receptor type 1 (CHEMBL5113)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of dual orexin receptor antagonists with rat sleep efficacy enabled by expansion of the acetonitrile-assisted/diphosgene-mediated 2,4-dichloropyrimidine synthesis.
Roecker AJ, Mercer SP, Harrell CM, Garson SL, Fox SV, Gotter AL, Prueksaritanont T, Cabalu TD, Cui D, Lemaire W, Winrow CJ, Renger JJ, Coleman PJ.
Bioorg Med Chem Lett (2014) 24 : 2079 -2085
PubMed 24704030 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 16 7.25 7.82

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3260832 1 7.82
CHEMBL3260831 1 7.58
CHEMBL1083358 1 7.57
CHEMBL3260836 1 7.55
CHEMBL3260834 1 7.51
CHEMBL3260828 1 7.43
CHEMBL3260826 1 7.35
CHEMBL3260833 1 7.33
CHEMBL1083659 SUVOREXANT 4.0 1 7.30
CHEMBL3260835 1 7.28
CHEMBL3260827 1 7.17
CHEMBL3260823 1 7.04
CHEMBL3260824 1 6.92
CHEMBL3260829 1 6.71
CHEMBL3260830 1 6.71
CHEMBL3260825 1 6.70

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3260832 IC50 = 15.0 nM 7.82
CHEMBL3260831 IC50 = 26.0 nM 7.58
CHEMBL1083358 IC50 = 27.0 nM 7.57
CHEMBL3260836 IC50 = 28.0 nM 7.55
CHEMBL3260834 IC50 = 31.0 nM 7.51
CHEMBL3260828 IC50 = 37.0 nM 7.43
CHEMBL3260826 IC50 = 45.0 nM 7.35
CHEMBL3260833 IC50 = 47.0 nM 7.33
CHEMBL1083659 SUVOREXANT IC50 = 50.0 nM 7.30
CHEMBL3260835 IC50 = 53.0 nM 7.28
CHEMBL3260827 IC50 = 67.0 nM 7.17
CHEMBL3260823 IC50 = 92.0 nM 7.04
CHEMBL3260824 IC50 = 119.0 nM 6.92
CHEMBL3260829 IC50 = 195.0 nM 6.71
CHEMBL3260830 IC50 = 195.0 nM 6.71
CHEMBL3260825 IC50 = 200.0 nM 6.70