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

CHEMBL1797808

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(=O)O/C(C(=O)/C=C/c1ccccc1)=C(O)\C=C\c1ccccc1

Basic Information

ChEMBL ID CHEMBL1797808
Phase Preclinical
Structure Type MOL
InChI Key OYORMLVBBYIVJN-LIVCEQIGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
4.32
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18O4
MW 334.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.28

Activity Summary

EC50 1 meas. best 4.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Radical scavenging activity
CHEMBL613712
EC50 4.32 4.32 47800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Radical scavenging activity EC50 = 47800.0 nM 4.32 Antioxidant activity assessed as DPPH radical scavenging activity 21601463

Literature References

PubMed DOI Target Context # Activities
21601463 10.1016/j.bmc.2011.04.055 Radical scavenging activity 2

Data from ChEMBL 36 via Core Engine