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Compound Detail

CHEMBL429284

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O=C(/C=C/c1cc(O)c(O)c(O)c1)c1c(O)cc(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL429284
Phase Preclinical
Structure Type MOL
InChI Key CHWLXVNIAZVLFG-OWOJBTEDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.2
MW (Da)
1.82
ALogP
7
HBA
6
HBD
138.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12O7
MW 304.25
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.09

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17267225 10.1016/j.bmc.2007.01.017 Tyrosinase 1

Data from ChEMBL 36 via Core Engine