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Assay Detail

CHEMBL1821044

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

ADMET
Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysis
2
Total Activities
2
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

2-({6-[(3R)-3-amino-3-methylpiperidine-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidine-5-yl}methyl)-4-fluorobenzonitrile (DSR-12727): a potent, orally active dipeptidyl peptidase IV inhibitor without mechanism-based inactivation of CYP3A.
Nishio Y, Kimura H, Sawada N, Sugaru E, Horiguchi M, Ono M, Furuta Y, Sakai M, Masui Y, Otani M, Hashizuka T, Honda Y, Deguchi J, Nakagawa T, Nakahira H.
Bioorg Med Chem (2011) 19 : 5490 -5499
PubMed 21865048 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 2 10.63 10.66

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1819091 1 10.66
CHEMBL1819089 1 10.59

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1819091 Ki = 0.022 nM 10.66
CHEMBL1819089 Ki = 0.026 nM 10.59