Skip to main content
Free research Free research Free assay review with research home and workspace preview
Quick search ChEMBL 36
Assay Detail

CHEMBL3855412

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

ADMET
Inhibition of CYP2D6 (unknown origin)
13
Total Activities
13
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 2D6 (CHEMBL289)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Tice CM, Noto PB, Fan KY, Zhao W, Lotesta SD, Dong C, Marcus AP, Zheng YJ, Chen G, Wu Z, Van Orden R, Zhou J, Bukhtiyarov Y, Zhao Y, Lipinski K, Howard L, Guo J, Kandpal G, Meng S, Hardy A, Krosky P, Gregg RE, Leftheris K, McKeever BM, Singh SB, Lala D, McGeehan GM, Zhuang L, Claremon DA.
Bioorg Med Chem Lett (2016) 26 : 5044 -5050
PubMed 27599745 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 4.82 5.27

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3914727 1 5.27
CHEMBL3978980 1 5.11
CHEMBL3940521 1 5.11
CHEMBL3972392 1 4.90
CHEMBL3985591 1 4.80
CHEMBL3933543 1 4.68
CHEMBL3956923 1 4.62
CHEMBL3959681 1 4.59
CHEMBL3976470 1 4.59
CHEMBL3905741 1 4.57
CHEMBL3814206 1 -
CHEMBL3960195 1 -
CHEMBL3913348 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3914727 IC50 = 5370.0 nM 5.27
CHEMBL3978980 IC50 = 7750.0 nM 5.11
CHEMBL3940521 IC50 = 7800.0 nM 5.11
CHEMBL3972392 IC50 = 12710.0 nM 4.90
CHEMBL3985591 IC50 = 15750.0 nM 4.80
CHEMBL3933543 IC50 = 20950.0 nM 4.68
CHEMBL3956923 IC50 = 24200.0 nM 4.62
CHEMBL3959681 IC50 = 25700.0 nM 4.59
CHEMBL3976470 IC50 = 25650.0 nM 4.59
CHEMBL3905741 IC50 = 27000.0 nM 4.57
CHEMBL3814206 IC50 > 30000.0 nM -
CHEMBL3960195 IC50 > 30000.0 nM -
CHEMBL3913348 IC50 > 30000.0 nM -