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Compound Detail

CHEMBL4168965

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CCCc1oc2cccc(CC3CCCCC3)c2c(=O)c1OCCCO

Basic Information

ChEMBL ID CHEMBL4168965
Phase Preclinical
Structure Type MOL
InChI Key ZIMQIMUVNGYATQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
4.63
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30O4
MW 358.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.56

Activity Summary

IC50 1 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 4.85 4.85 14000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 14000.0 nM 4.85 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