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Compound Detail

CHEMBL5268905

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COc1cc(O)cc2cc(O)c3cccc(OC)c3c12

Basic Information

ChEMBL ID CHEMBL5268905
Phase Preclinical
Structure Type MOL
InChI Key LXWFKQGQNDDVAL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
3.42
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H14O4
MW 270.28
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness 1.16

Activity Summary

IC50 1 meas. best 4.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 4.22 4.22 59800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 59800.0 nM 4.22 Antioxidant activity assessed as DPPH radical scavenging activity 29280630

Literature References

PubMed DOI Target Context # Activities
29280630 10.1021/acs.jnatprod.7b00619 No relevant target 1

Data from ChEMBL 36 via Core Engine