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Compound Detail

CHEMBL3233511

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O=c1c2cc(O)c(O)cc2oc2c(-c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c4c(=O)c5cc(O)c(O)cc5oc34)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3233511
Phase Preclinical
Structure Type MOL
InChI Key LOOSNXLRPYHAAP-ISKHVNHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

842.7
MW (Da)
-1.45
ALogP
22
HBA
16
HBD
402.6
PSA (Ų)
0.07
QED
3
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C38H34O22
MW 842.67
Aromatic Rings 6
Heavy Atoms 60
NP-Likeness 1.09

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