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Assay Detail

CHEMBL4157559

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

Functional
Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by Alamar blue assay
23
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Functional
Organism Homo sapiens
Cell Type MDA-MB-231
Confidence 1 — Organism
Curated By Intermediate

Target

MDA-MB-231 (CHEMBL400)
Type CELL-LINE
Organism Homo sapiens

Publication

A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660).
Johnson CN, Ahn JS, Buck IM, Chiarparin E, Day JEH, Hopkins A, Howard S, Lewis EJ, Martins V, Millemaggi A, Munck JM, Page LW, Peakman T, Reader M, Rich SJ, Saxty G, Smyth T, Thompson NT, Ward GA, Williams PA, Wilsher NE, Chessari G.
J Med Chem (2018) 61 : 7314 -7329
PubMed 30091600 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 8.25 9.23

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4171490 1 9.23
CHEMBL4166607 1 8.92
CHEMBL4166057 1 8.74
CHEMBL4173974 ASTX-660 1.0 1 8.74
CHEMBL4164271 1 8.72
CHEMBL4167141 1 8.68
CHEMBL4169478 1 8.62
CHEMBL4174922 1 8.54
CHEMBL4064619 1 8.36
CHEMBL4167717 1 8.28
CHEMBL4160872 1 8.27
CHEMBL4168197 1 8.15
CHEMBL2431768 LCL-161 2.0 1 8.11
CHEMBL4162607 1 8.10
CHEMBL4175992 1 8.08
CHEMBL4159232 1 7.96
CHEMBL4159806 1 7.85
CHEMBL4173890 1 7.85
CHEMBL4170539 1 7.82
CHEMBL4168144 1 7.80
CHEMBL4177336 1 7.75
CHEMBL4172596 1 7.66
CHEMBL4159855 1 7.58

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4171490 IC50 = 0.59 nM 9.23
CHEMBL4166607 IC50 = 1.2 nM 8.92
CHEMBL4166057 IC50 = 1.8 nM 8.74
CHEMBL4173974 ASTX-660 IC50 = 1.8 nM 8.74
CHEMBL4164271 IC50 = 1.9 nM 8.72
CHEMBL4167141 IC50 = 2.1 nM 8.68
CHEMBL4169478 IC50 = 2.4 nM 8.62
CHEMBL4174922 IC50 = 2.9 nM 8.54
CHEMBL4064619 IC50 = 4.4 nM 8.36
CHEMBL4167717 IC50 = 5.2 nM 8.28
CHEMBL4160872 IC50 = 5.4 nM 8.27
CHEMBL4168197 IC50 = 7.0 nM 8.15
CHEMBL2431768 LCL-161 IC50 = 7.8 nM 8.11
CHEMBL4162607 IC50 = 7.9 nM 8.10
CHEMBL4175992 IC50 = 8.3 nM 8.08
CHEMBL4159232 IC50 = 11.0 nM 7.96
CHEMBL4159806 IC50 = 14.0 nM 7.85
CHEMBL4173890 IC50 = 14.0 nM 7.85
CHEMBL4170539 IC50 = 15.0 nM 7.82
CHEMBL4168144 IC50 = 16.0 nM 7.80
CHEMBL4177336 IC50 = 18.0 nM 7.75
CHEMBL4172596 IC50 = 22.0 nM 7.66
CHEMBL4159855 IC50 = 26.0 nM 7.58