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Assay Detail

CHEMBL1023634

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

ADMET
Inhibition of CYP2C19
28
Total Activities
28
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Confidence 8 — Homologous single protein target
Curated By Intermediate

Target

Cytochrome P450 2C19 (CHEMBL3622)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis and SAR of amino acid-derived heterocyclic progesterone receptor full and partial agonists.
Hammond M, Patterson JR, Manns S, Hoang TH, Washburn DG, Trizna W, Glace L, Grygielko ET, Nagilla R, Nord M, Fries HE, Minick DJ, Laping NJ, Bray JD, Thompson SK.
Bioorg Med Chem Lett (2009) 19 : 2637 -2641
PubMed 19376703 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 28 6.07 7.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL551784 1 7.40
CHEMBL552156 1 7.20
CHEMBL551782 1 7.17
CHEMBL564015 1 7.10
CHEMBL559581 1 7.04
CHEMBL562509 1 6.96
CHEMBL561713 1 6.52
CHEMBL552107 1 5.89
CHEMBL551305 1 5.89
CHEMBL560647 1 5.82
CHEMBL552108 1 5.42
CHEMBL555562 1 5.39
CHEMBL560248 1 5.19
CHEMBL541973 1 5.06
CHEMBL551972 1 4.77
CHEMBL549554 1 4.37
CHEMBL549624 1 -
CHEMBL563070 1 -
CHEMBL557293 1 -
CHEMBL560249 1 -
CHEMBL563716 1 -
CHEMBL556892 1 -
CHEMBL561712 1 -
CHEMBL559974 1 -
CHEMBL556891 1 -
CHEMBL559580 1 -
CHEMBL550170 1 -
CHEMBL564782 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL551784 IC50 = 40.0 nM 7.40
CHEMBL552156 IC50 = 63.0 nM 7.20
CHEMBL551782 IC50 = 67.0 nM 7.17
CHEMBL564015 IC50 = 80.0 nM 7.10
CHEMBL559581 IC50 = 91.0 nM 7.04
CHEMBL562509 IC50 = 110.0 nM 6.96
CHEMBL561713 IC50 = 300.0 nM 6.52
CHEMBL552107 IC50 = 1300.0 nM 5.89
CHEMBL551305 IC50 = 1300.0 nM 5.89
CHEMBL560647 IC50 = 1500.0 nM 5.82
CHEMBL552108 IC50 = 3800.0 nM 5.42
CHEMBL555562 IC50 = 4100.0 nM 5.39
CHEMBL560248 IC50 = 6400.0 nM 5.19
CHEMBL541973 IC50 = 8800.0 nM 5.06
CHEMBL551972 IC50 = 17000.0 nM 4.77
CHEMBL549554 IC50 = 43000.0 nM 4.37
CHEMBL549624 IC50 - -
CHEMBL563070 IC50 - -
CHEMBL557293 IC50 < 330.0 nM -
CHEMBL560249 IC50 - -
CHEMBL563716 IC50 < 33.0 nM -
CHEMBL556892 IC50 < 33.0 nM -
CHEMBL561712 IC50 < 330.0 nM -
CHEMBL559974 IC50 < 33.0 nM -
CHEMBL556891 IC50 < 33.0 nM -
CHEMBL559580 IC50 < 33.0 nM -
CHEMBL550170 IC50 < 33.0 nM -
CHEMBL564782 IC50 < 33.0 nM -