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Compound Detail

CHEMBL3233509

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COc1cc(O)c(C(=O)c2ccc(O)cc2)c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3233509
Phase Preclinical
Structure Type MOL
InChI Key WDUNUSJSSNMPGY-PVHIDGQHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

574.5
MW (Da)
0.54
ALogP
14
HBA
9
HBD
243.9
PSA (Ų)
0.11
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H26O14
MW 574.49
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness 1.66

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