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Compound Detail

CHEMBL2377406

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COc1ccc(C(O)CCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2377406
Phase Preclinical
Structure Type MOL
InChI Key BZPKZNONVBTDKL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
5.43
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.52
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 C26H30O5
MW 422.52
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.22

Activity Summary

IC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
 IC50 5.19 5.19 6500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 6500.0 nM 5.19 Inhibition interleukin-5 in mouse Y16 cells after 48 hrs by WST-1 assay 23523388

Literature References

PubMed DOI Target Context # Activities
23523388 10.1016/j.bmc.2013.02.037 Interleukin-5 2

Data from ChEMBL 36 via Core Engine