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Compound Detail

CHEMBL3233510

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COc1cc2oc3cc(O)c(O)cc3c(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3233510
Phase Preclinical
Structure Type MOL
InChI Key HDPSXKXQSOVYLL-PQSJUMPYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

436.4
MW (Da)
-0.41
ALogP
11
HBA
7
HBD
190.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H20O11
MW 436.37
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 1.96

Literature References

PubMed DOI Target Context # Activities
24613627 10.1016/j.bmc.2014.02.014 Neuraminidase 2
24613627 10.1016/j.bmc.2014.02.014 Genome polyprotein 2

Data from ChEMBL 36 via Core Engine