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

CHEMBL3099452

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
COC(=O)c1cc(OC)c(OC)c(OC)c1-c1ccccc1/C=C(\C)[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3099452
Phase Preclinical
Structure Type MOL
InChI Key NVXHODHFFJXHON-ZRDIBKRKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
3.80
ALogP
7
HBA
0
HBD
97.1
PSA (Ų)
0.40
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 C20H21NO7
MW 387.39
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.17

Activity Summary

IC50 1 meas. best 5.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.79 5.79 1610.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1610.0 nM 5.79 Inhibition of LPS-induced NF-kappaB activation in mouse RAW264.7 cells treated 3... 24315191

Literature References

PubMed DOI Target Context # Activities
24315191 10.1016/j.bmc.2013.11.018 Unchecked 1
24315191 10.1016/j.bmc.2013.11.018 NON-PROTEIN TARGET 1
24315191 10.1016/j.bmc.2013.11.018 KB 1
24315191 10.1016/j.bmc.2013.11.018 DU-145 1
24315191 10.1016/j.bmc.2013.11.018 A549 1

Data from ChEMBL 36 via Core Engine