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Compound Detail

CHEMBL4174902

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COc1ccc(COc2coc3cccc(CC4CCCCC4)c3c2=O)cc1

Basic Information

ChEMBL ID CHEMBL4174902
Phase Preclinical
Structure Type MOL
InChI Key RWMAAHWTZRJGGE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
5.50
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.57
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 C24H26O4
MW 378.47
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.05

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 20000.0 nM 4.7 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