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Compound Detail

CHEMBL7998

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COc1ccc(-c2c(O)cc3c(c2OC)OCO3)cc1

Basic Information

ChEMBL ID CHEMBL7998
Phase Preclinical
Structure Type MOL
InChI Key RRRYYNGBNHPNSW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
2.81
ALogP
5
HBA
1
HBD
57.1
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14O5
MW 274.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 1.03

Activity Summary

IC50 1 meas. best 4.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cavia porcellus
CHEMBL369
IC50 4.25 4.25 56000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cavia porcellus IC50 = 56000.0 nM 4.25 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