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Compound Detail

CHEMBL1766154

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COc1cc(COc2cc(O)cc(OCc3cc(OC)cc(OC)c3)c2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1766154
Phase Preclinical
Structure Type MOL
InChI Key NRSVRCTVJJHSFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
4.58
ALogP
7
HBA
1
HBD
75.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26O7
MW 426.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.09

Literature References

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

Data from ChEMBL 36 via Core Engine