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Assay Detail

CHEMBL2424022

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

ADMET
Inhibition of human recombinant CYP3A4
10
Total Activities
10
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 3A4 (CHEMBL340)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Lead optimization of ethyl 6-aminonicotinate acyl sulfonamides as antagonists of the P2Y12 receptor. separation of the antithrombotic effect and bleeding for candidate drug AZD1283.
Bach P, Antonsson T, Bylund R, Björkman JA, Österlund K, Giordanetto F, van Giezen JJ, Andersen SM, Zachrisson H, Zetterberg F.
J Med Chem (2013) 56 : 7015 -7024
PubMed 23899349 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 10 5.22 5.85

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2419495 1 5.85
CHEMBL2419485 1 5.48
CHEMBL2419491 1 5.35
CHEMBL2419490 1 4.70
CHEMBL2419487 1 4.70
CHEMBL2419494 1 -
CHEMBL2419493 1 -
CHEMBL2419492 1 -
CHEMBL2419486 1 -
CHEMBL2419501 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2419495 IC50 = 1400.0 nM 5.85
CHEMBL2419485 IC50 = 3300.0 nM 5.48
CHEMBL2419491 IC50 = 4500.0 nM 5.35
CHEMBL2419490 IC50 = 20000.0 nM 4.70
CHEMBL2419487 IC50 = 20000.0 nM 4.70
CHEMBL2419494 IC50 > 2000.0 nM -
CHEMBL2419493 IC50 > 17000.0 nM -
CHEMBL2419492 IC50 > 17000.0 nM -
CHEMBL2419486 IC50 > 20000.0 nM -
CHEMBL2419501 IC50 > 50000.0 nM -