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Compound Detail

CHEMBL2147489

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CN(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O

Basic Information

ChEMBL ID CHEMBL2147489
Phase Preclinical
Structure Type MOL
InChI Key OIXHCOCAJATYQP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
3.18
ALogP
5
HBA
1
HBD
62.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27NO4
MW 345.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.33

Activity Summary

IC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 4.52 4.52 30300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 30300.0 nM 4.52 Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay 22954899

Literature References

PubMed DOI Target Context # Activities
22954899 10.1016/j.bmc.2012.08.006 Interleukin-5 2

Data from ChEMBL 36 via Core Engine