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Compound Detail

CHEMBL5432681

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COc1ccc2c(c1C)O/C(=C\c1ccc(O)cc1O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5432681
Phase Preclinical
Structure Type MOL
InChI Key IJENOAVFVSPAGJ-CHHVJCJISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
3.03
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14O5
MW 298.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.08

Literature References

PubMed DOI Target Context # Activities
36462443 10.1016/j.ejmech.2022.114972 Tyrosinase 1

Data from ChEMBL 36 via Core Engine