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Compound Detail

CHEMBL243831

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COc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL243831
Phase Preclinical
Structure Type MOL
InChI Key FSUQQYNYAWWMTD-HWKANZROSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
2.72
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.58
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 C17H16O6
MW 316.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.70

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17267225 10.1016/j.bmc.2007.01.017 Tyrosinase 1
- 10.1007/s00044-011-9640-2 Mus musculus 1

Data from ChEMBL 36 via Core Engine