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Compound Detail

CHEMBL1765649

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COc1cc(CC(O)C(=O)O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1765649
Phase Preclinical
Structure Type MOL
InChI Key SVYIZYRTOYHQRE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
0.39
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H12O5
MW 212.20
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 1.37

Literature References

PubMed DOI Target Context # Activities
21388814 10.1016/j.bmc.2011.02.013 Mus musculus 1

Data from ChEMBL 36 via Core Engine