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Compound Detail

CHEMBL1163986

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COc1cc(-c2coc3cccc(OCC4CCCCC4)c3c2=O)ccc1OCc1ccccc1

Basic Information

ChEMBL ID CHEMBL1163986
Phase Preclinical
Structure Type MOL
InChI Key NURNAOIEQZSCAO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
7.01
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30O5
MW 470.57
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness 0.04

Activity Summary

IC50 1 meas. best 4.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 4.76 4.76 17400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 17400.0 nM 4.76 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