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Assay Detail

CHEMBL1816745

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

ADMET
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Tissue Liver
Subcellular Microsome
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

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

Publication

Synthesis and pharmacological characterization of bicyclic triple reuptake inhibitor 3-aryl octahydrocyclopenta[c]pyrrole analogues.
Shao L, Hewitt MC, Malcolm SC, Wang F, Ma J, Campbell UC, Spicer NA, Engel SR, Hardy LW, Jiang ZD, Schreiber R, Spear KL, Varney MA.
J Med Chem (2011) 54 : 5283 -5295
PubMed 21739935 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 18 5.12 5.58

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1813476 1 5.58
CHEMBL1813315 1 5.28
CHEMBL1813314 1 5.19
CHEMBL1813471 1 5.08
CHEMBL1813474 1 5.04
CHEMBL1813477 1 4.97
CHEMBL1813478 1 4.90
CHEMBL1813472 1 4.89
CHEMBL1813316 1 -
CHEMBL1813317 1 -
CHEMBL1813313 1 -
CHEMBL1813470 1 -
CHEMBL1813487 1 -
CHEMBL1813489 1 -
CHEMBL1813484 1 -
CHEMBL1813475 1 -
CHEMBL1813483 1 -
CHEMBL1813485 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1813476 IC50 = 2650.0 nM 5.58
CHEMBL1813315 IC50 = 5280.0 nM 5.28
CHEMBL1813314 IC50 = 6500.0 nM 5.19
CHEMBL1813471 IC50 = 8390.0 nM 5.08
CHEMBL1813474 IC50 = 9170.0 nM 5.04
CHEMBL1813477 IC50 = 10700.0 nM 4.97
CHEMBL1813478 IC50 = 12700.0 nM 4.90
CHEMBL1813472 IC50 = 12800.0 nM 4.89
CHEMBL1813316 IC50 > 5000.0 nM -
CHEMBL1813317 IC50 > 5000.0 nM -
CHEMBL1813313 IC50 - -
CHEMBL1813470 IC50 - -
CHEMBL1813487 IC50 - -
CHEMBL1813489 IC50 - -
CHEMBL1813484 IC50 > 25000.0 nM -
CHEMBL1813475 IC50 > 5000.0 nM -
CHEMBL1813483 IC50 - -
CHEMBL1813485 IC50 - -