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Compound Detail

CHEMBL4167032

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O=c1c(OCCCO)c(C2CCCCC2)oc2cccc(CC3CCCCC3)c12

Basic Information

ChEMBL ID CHEMBL4167032
Phase Preclinical
Structure Type MOL
InChI Key ZGHSUMXNDZNHKB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
5.72
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.61
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 C25H34O4
MW 398.54
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.54

Activity Summary

IC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 3000.0 nM 5.52 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