Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2147490

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCN(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O

Basic Information

ChEMBL ID CHEMBL2147490
Phase Preclinical
Structure Type MOL
InChI Key HYYHWRBHSOQRNP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
3.57
ALogP
5
HBA
1
HBD
62.9
PSA (Ų)
0.78
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 C21H29NO4
MW 359.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.43

Activity Summary

IC50 1 meas. best 4.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 4.71 4.71 19500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 19500.0 nM 4.71 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