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Assay Detail

CHEMBL1815844

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ADMET
Inhibition of CYP2D6
5
Total Activities
5
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 2D6 (CHEMBL289)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Identification of a novel selective H1-antihistamine with optimized pharmacokinetic properties for clinical evaluation in the treatment of insomnia.
Moree WJ, Li BF, Zamani-Kord S, Yu J, Coon T, Huang C, Marinkovic D, Tucci FC, Malany S, Bradbury MJ, Hernandez LM, Wen J, Wang H, Hoare SR, Petroski RE, Jalali K, Yang C, Sacaan A, Madan A, Crowe PD, Beaton G.
Bioorg Med Chem Lett (2010) 20 : 5874 -5878
PubMed 20800486 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 5 4.73 5.19

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1090526 1 5.19
CHEMBL1090176 1 4.96
CHEMBL1092662 1 4.66
CHEMBL564144 1 4.55
CHEMBL556506 1 4.30

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1090526 IC50 = 6400.0 nM 5.19
CHEMBL1090176 IC50 = 11000.0 nM 4.96
CHEMBL1092662 IC50 = 22000.0 nM 4.66
CHEMBL564144 IC50 = 28000.0 nM 4.55
CHEMBL556506 IC50 = 50000.0 nM 4.30