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Compound Detail

CHEMBL4170425

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O=C(O)c1ccc(COc2coc3cccc(CC4CCCCC4)c3c2=O)cc1

Basic Information

ChEMBL ID CHEMBL4170425
Phase Preclinical
Structure Type MOL
InChI Key ZLMRGSMRLQMKLP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
5.19
ALogP
4
HBA
1
HBD
76.7
PSA (Ų)
0.62
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24O5
MW 392.45
Aromatic Rings 3
Heavy Atoms 29

Activity Summary

IC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 17000.0 nM 4.77 Inhibition of mouse IL-5-induced cell proliferation in mouse Y16 cells after 48 ... 28803045

Literature References

PubMed DOI Target Context # Activities
28803045 10.1016/j.ejmech.2017.07.069 Interleukin-5 2

Data from ChEMBL 36 via Core Engine