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Compound Detail

CHEMBL5282570

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COc1ccc(CCc2cc(OC)c(O)c3c2C(Cc2ccc(O)cc2)c2cc(O)c(O)c(OC)c2O3)cc1

Basic Information

ChEMBL ID CHEMBL5282570
Phase Preclinical
Structure Type MOL
InChI Key BQMBHBCBJNJWFR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

530.6
MW (Da)
5.80
ALogP
8
HBA
4
HBD
117.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C31H30O8
MW 530.57
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness 1.23

Activity Summary

IC50 1 meas. best 4.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 4.49 4.49 32400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 32400.0 nM 4.49 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