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Assay Detail

CHEMBL1035787

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

ADMET
Inhibition of CYP3A4 in human liver microsomes
17
Total Activities
17
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

3-amino-7-phthalazinylbenzoisoxazoles as a novel class of potent, selective, and orally available inhibitors of p38alpha mitogen-activated protein kinase.
Pettus LH, Xu S, Cao GQ, Chakrabarti PP, Rzasa RM, Sham K, Wurz RP, Zhang D, Middleton S, Henkle B, Plant MH, Saris CJ, Sherman L, Wong LM, Powers DA, Tudor Y, Yu V, Lee MR, Syed R, Hsieh F, Tasker AS.
J Med Chem (2008) 51 : 6280 -6292
PubMed 18817364 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 17 5.28 5.75

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL495084 1 5.75
CHEMBL524054 1 5.40
CHEMBL495290 1 5.38
CHEMBL523516 1 5.35
CHEMBL495492 1 5.25
CHEMBL522877 1 5.25
CHEMBL495118 1 5.22
CHEMBL495493 1 5.00
CHEMBL494916 1 4.92
CHEMBL494917 1 -
CHEMBL522689 1 -
CHEMBL494305 1 -
CHEMBL493496 1 -
CHEMBL492661 1 -
CHEMBL521860 1 -
CHEMBL523374 1 -
CHEMBL493707 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL495084 IC50 = 1800.0 nM 5.75
CHEMBL524054 IC50 = 4000.0 nM 5.40
CHEMBL495290 IC50 = 4200.0 nM 5.38
CHEMBL523516 IC50 = 4500.0 nM 5.35
CHEMBL495492 IC50 = 5600.0 nM 5.25
CHEMBL522877 IC50 = 5600.0 nM 5.25
CHEMBL495118 IC50 = 6000.0 nM 5.22
CHEMBL495493 IC50 = 10000.0 nM 5.00
CHEMBL494916 IC50 = 12000.0 nM 4.92
CHEMBL494917 IC50 > 25000.0 nM -
CHEMBL522689 IC50 > 25000.0 nM -
CHEMBL494305 IC50 > 25000.0 nM -
CHEMBL493496 IC50 > 25000.0 nM -
CHEMBL492661 IC50 > 25000.0 nM -
CHEMBL521860 IC50 > 25000.0 nM -
CHEMBL523374 IC50 > 25000.0 nM -
CHEMBL493707 IC50 - -