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Compound Detail

CHEMBL4755918

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O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1CC[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4755918
Phase Preclinical
Structure Type MOL
InChI Key RXKJUJBLHWQKCA-FXLMWSCQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
0.54
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H16O6
MW 280.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 2.09

Literature References

PubMed DOI Target Context # Activities
32991171 10.1021/acs.jnatprod.0c00756 HT-22 1

Data from ChEMBL 36 via Core Engine