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

CHEMBL1172607

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
CC(C)(CO)NCc1coc2cccc(OCC3CCCCC3)c2c1=O

Basic Information

ChEMBL ID CHEMBL1172607
Phase Preclinical
Structure Type MOL
InChI Key YFTYZHMPFHEFCM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
3.61
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.79
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 C21H29NO4
MW 359.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.07

Activity Summary

IC50 1 meas. best 4.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 4.58 4.58 26400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 26400.0 nM 4.58 Inhibition of interleukin-5 in mouse Y16 cells 20627591

Literature References

PubMed DOI Target Context # Activities
20627591 10.1016/j.bmc.2010.05.028 Interleukin-5 2

Data from ChEMBL 36 via Core Engine