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Assay Detail

CHEMBL1825987

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ADMET
Inhibition of CYP3A4
3
Total Activities
3
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 3A4 (CHEMBL340)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

2,7-disubstituted-pyrrolo[2,1-f][1,2,4]triazines: new variant of an old template and application to the discovery of anaplastic lymphoma kinase (ALK) inhibitors with in vivo antitumor activity.
Ott GR, Wells GJ, Thieu TV, Quail MR, Lisko JG, Mesaros EF, Gingrich DE, Ghose AK, Wan W, Lu L, Cheng M, Albom MS, Angeles TS, Huang Z, Aimone LD, Ator MA, Ruggeri BA, Dorsey BD.
J Med Chem (2011) 54 : 6328 -6341
PubMed 21859094 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 3 4.94 5.03

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1822515 1 5.03
CHEMBL1821735 1 4.84
CHEMBL1822525 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1822515 IC50 = 9400.0 nM 5.03
CHEMBL1821735 IC50 = 14600.0 nM 4.84
CHEMBL1822525 IC50 > 12000.0 nM -