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

CHEMBL5283752

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
COc1ccc(CC2C3=C(Cc4c2cc(O)c(O)c4OC)C(=O)c2cc(O)c4cc(O)ccc4c2C3=O)cc1

Basic Information

ChEMBL ID CHEMBL5283752
Phase Preclinical
Structure Type MOL
InChI Key OLVUWKVDEFYREN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

524.5
MW (Da)
4.94
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H24O8
MW 524.53
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness 1.33

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 4.7 4.7 19800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 19800.0 nM 4.7 Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... 32711292

Literature References

PubMed DOI Target Context # Activities
32711292 10.1016/j.ejmech.2020.112530 No relevant target 1

Data from ChEMBL 36 via Core Engine