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Assay Detail

CHEMBL5120633

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

ADMET
Inhibition of CYP3A4 (unknown origin) in presence of NADPH
11
Total Activities
11
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

Optimization of Pyrimidine Compounds as Potent JAK1 Inhibitors and the Discovery of R507 as a Clinical Candidate.
Chen Y, Li H, Yen R, Heckrodt TJ, McMurtrie D, Singh R, Taylor V, Masuda ES, Park G, Payan DG.
ACS Med Chem Lett (2022) 13 : 1805 -1811
PubMed 36385926 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 11 5.77 6.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5192063 1 6.40
CHEMBL5173045 1 6.30
CHEMBL5203646 1 6.16
CHEMBL5192889 1 5.96
CHEMBL5187209 1 5.57
CHEMBL5188333 1 5.54
CHEMBL5209379 1 5.52
CHEMBL5205935 1 5.40
CHEMBL5170161 1 5.10
CHEMBL5184050 1 -
CHEMBL4594441 IFIDANCITINIB 2.0 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5192063 IC50 = 400.0 nM 6.40
CHEMBL5173045 IC50 = 500.0 nM 6.30
CHEMBL5203646 IC50 = 700.0 nM 6.16
CHEMBL5192889 IC50 = 1100.0 nM 5.96
CHEMBL5187209 IC50 = 2700.0 nM 5.57
CHEMBL5188333 IC50 = 2900.0 nM 5.54
CHEMBL5209379 IC50 = 3000.0 nM 5.52
CHEMBL5205935 IC50 = 4000.0 nM 5.40
CHEMBL5170161 IC50 = 8000.0 nM 5.10
CHEMBL5184050 IC50 > 10000.0 nM -
CHEMBL4594441 IFIDANCITINIB IC50 > 10000.0 nM -