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Compound Detail

CHEMBL4861531

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CCOC/C=C/c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4861531
Phase Preclinical
Structure Type MOL
InChI Key QJYLEXGPBAADSU-DTANWHLUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
-0.07
ALogP
9
HBA
4
HBD
127.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28O9
MW 400.42
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 1.62

Literature References

PubMed DOI Target Context # Activities
34658231 10.1021/acs.jnatprod.1c00585 RAW264.7 2

Data from ChEMBL 36 via Core Engine