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Compound Detail

CHEMBL1933687

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COC(=O)c1cc(O)c(O)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1933687
Phase Preclinical
Structure Type MOL
InChI Key LVVUKXKEXOTUPV-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

198.2
MW (Da)
0.89
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H10O5
MW 198.17
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.82

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
22079755 10.1016/j.bmcl.2011.10.073 Unchecked 1
22079755 10.1016/j.bmcl.2011.10.073 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine