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Assay Detail

CHEMBL3362763

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ADMET
Inhibition of CYP2D6 (unknown origin)
6
Total Activities
6
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

Design and synthesis of 4-heteroaryl 1,2,3,4-tetrahydroisoquinolines as triple reuptake inhibitors.
Liu S, Zha C, Nacro K, Hu M, Cui W, Yang YL, Bhatt U, Sambandam A, Isherwood M, Yet L, Herr MT, Ebeltoft S, Hassler C, Fleming L, Pechulis AD, Payen-Fornicola A, Holman N, Milanowski D, Cotterill I, Mozhaev V, Khmelnitsky Y, Guzzo PR, Sargent BJ, Molino BF, Olson R, King D, Lelas S, Li YW, Johnson K, Molski T, Orie A, Ng A, Haskell R, Clarke W, Bertekap R, O'Connell J, Lodge N, Sinz M, Adams S, Zaczek R, Macor JE.
ACS Med Chem Lett (2014) 5 : 760 -765
PubMed 25050161 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 6 5.69 6.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3323095 1 6.10
CHEMBL3323187 1 6.00
CHEMBL3323181 1 4.96
CHEMBL3323173 1 -
CHEMBL3323174 1 -
CHEMBL3323175 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3323095 IC50 = 800.0 nM 6.10
CHEMBL3323187 IC50 = 1000.0 nM 6.00
CHEMBL3323181 IC50 = 11000.0 nM 4.96
CHEMBL3323173 IC50 < 1000.0 nM -
CHEMBL3323174 IC50 < 1000.0 nM -
CHEMBL3323175 IC50 < 1000.0 nM -