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Compound Detail

CHEMBL274615

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COc1c2c(cc(O)c1-c1cc3ccccc3o1)OCO2

Basic Information

ChEMBL ID CHEMBL274615
Phase Preclinical
Structure Type MOL
InChI Key ACHFSGOIKJNVJV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
3.54
ALogP
5
HBA
1
HBD
61.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H12O5
MW 284.27
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 1.19

Activity Summary

IC50 1 meas. best 4.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cavia porcellus
CHEMBL369
IC50 4.01 4.01 98000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cavia porcellus IC50 = 98000.0 nM 4.01 Antioxidative activity was evaluated by using the lipid peroxidation of guinea p... 10230633

Literature References

PubMed DOI Target Context # Activities
10230633 10.1016/s0960-894x(99)00126-2 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine