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Compound Detail

CHEMBL1766152

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COc1cc(COc2cc(O)cc(OC(C)=O)c2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1766152
Phase Preclinical
Structure Type MOL
InChI Key VNVYGPWGLFMVER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
2.91
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18O6
MW 318.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.32

Literature References

PubMed DOI Target Context # Activities
21429753 10.1016/j.bmc.2011.02.044 Radical scavenging activity 2
21429753 10.1016/j.bmc.2011.02.044 B16 2
21429753 10.1016/j.bmc.2011.02.044 Tyrosinase 2

Data from ChEMBL 36 via Core Engine