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Compound Detail

CHEMBL1163759

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COc1ccc(-c2coc3cccc(OCC4CCCCC4)c3c2=O)c(OC)c1OC

Basic Information

ChEMBL ID CHEMBL1163759
Phase Preclinical
Structure Type MOL
InChI Key WXWMNLSDPLUBPN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
5.44
ALogP
6
HBA
0
HBD
67.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28O6
MW 424.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.39

Activity Summary

IC50 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 5.21 5.21 6100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 6100.0 nM 5.21 Inhibition of IL5-mediated proliferation of mouse Y16 cells by WST1 assay 20472438

Literature References

PubMed DOI Target Context # Activities
20472438 10.1016/j.bmc.2010.04.075 Interleukin-5 2

Data from ChEMBL 36 via Core Engine