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Compound Detail

CHEMBL69396

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CC(C)=C(C)OC(=O)/C=C/c1ccc(O)c(O)c1

Basic Information

ChEMBL ID CHEMBL69396
Phase Preclinical
Structure Type MOL
InChI Key HGBFCTNOLUGVEH-FNORWQNLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.97
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.37
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 C14H16O4
MW 248.28
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.07

Activity Summary

IC50 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.46 5.46 3500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 3500.0 nM 5.46 Evaluated for the antioxidant property by measuring the inhibition of microsomal... 11206462

Literature References

PubMed DOI Target Context # Activities
11206462 10.1016/s0960-894x(00)00630-2 Unchecked 1

Data from ChEMBL 36 via Core Engine