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

CHEMBL4069543

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
O=c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)[nH]cc1O

Basic Information

ChEMBL ID CHEMBL4069543
Phase Preclinical
Structure Type MOL
InChI Key WFFJPOXYPGWWPO-DAFODLJHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

258.2
MW (Da)
2.16
ALogP
4
HBA
2
HBD
96.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10N2O4
MW 258.23
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.04

Activity Summary

IC50 1 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 5.32 5.32 4790.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 4790.0 nM 5.32 Antioxidant activity assessed as ABTS radical scavenging activity incubated for ... 28061347

Literature References

PubMed DOI Target Context # Activities
28061347 10.1016/j.ejmech.2016.12.045 No relevant target 2
28061347 10.1016/j.ejmech.2016.12.045 Amyloid-beta precursor protein 2

Data from ChEMBL 36 via Core Engine