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Assay Detail

CHEMBL916112

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

ADMET
Inhibition of human CYP3A4
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

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

Publication

Discovery of alogliptin: a potent, selective, bioavailable, and efficacious inhibitor of dipeptidyl peptidase IV.
Feng J, Zhang Z, Wallace MB, Stafford JA, Kaldor SW, Kassel DB, Navre M, Shi L, Skene RJ, Asakawa T, Takeuchi K, Xu R, Webb DR, Gwaltney SL.
J Med Chem (2007) 50 : 2297 -2300
PubMed 17441705 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 6.41 7.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL390529 1 7.10
CHEMBL387552 1 6.89
CHEMBL227670 1 6.70
CHEMBL375508 1 6.60
CHEMBL227676 1 6.60
CHEMBL228004 1 6.60
CHEMBL389074 1 6.60
CHEMBL227089 1 6.30
CHEMBL227464 1 6.30
CHEMBL390776 1 6.20
CHEMBL227356 1 6.10
CHEMBL227954 1 5.70
CHEMBL425483 1 5.60

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL390529 IC50 = 80.0 nM 7.10
CHEMBL387552 IC50 = 130.0 nM 6.89
CHEMBL227670 IC50 = 200.0 nM 6.70
CHEMBL375508 IC50 = 250.0 nM 6.60
CHEMBL227676 IC50 = 250.0 nM 6.60
CHEMBL228004 IC50 = 250.0 nM 6.60
CHEMBL389074 IC50 = 250.0 nM 6.60
CHEMBL227089 IC50 = 500.0 nM 6.30
CHEMBL227464 IC50 = 500.0 nM 6.30
CHEMBL390776 IC50 = 630.0 nM 6.20
CHEMBL227356 IC50 = 790.0 nM 6.10
CHEMBL227954 IC50 = 2000.0 nM 5.70
CHEMBL425483 IC50 = 2500.0 nM 5.60