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Compound Detail

CHEMBL1766153

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

Basic Information

ChEMBL ID CHEMBL1766153
Phase Preclinical
Structure Type MOL
InChI Key WSBLIKDGPMEWBH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
2.69
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16O5
MW 276.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.25

Activity Summary

EC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine