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

CHEMBL2337331

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
COc1cc(CN)ccc1Oc1ccc2c(c1)B(O)OC2.Cl

Basic Information

ChEMBL ID CHEMBL2337331
Phase Preclinical
Structure Type MOL
InChI Key XNGZKPJQJAQKDX-UHFFFAOYSA-N
Parent Compound CHEMBL3546194
Active Moiety CHEMBL3546194
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17BClNO4
MW 321.57

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
PBMC
CHEMBL613107
IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
PBMC IC50 = 1500.0 nM 5.82 Antiinflammatory activity in human PBMCs assessed as inhibition of LPS-induced I... 23411072

Literature References

PubMed DOI Target Context # Activities
23411072 10.1016/j.bmcl.2013.01.072 PBMC 6

Data from ChEMBL 36 via Core Engine