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Compound Detail

CHEMBL448458

LIGUROBUSTOSIDE M
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C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](OCCc4ccc(O)cc4)O[C@H](CO)[C@H]3O)O[C@H]2C)[C@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL448458
Name LIGUROBUSTOSIDE M
Phase Preclinical
Structure Type MOL
InChI Key PZNQCWWNVMGWAG-MWLFWLFYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

592.6
MW (Da)
-3.55
ALogP
15
HBA
9
HBD
237.4
PSA (Ų)
0.13
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H40O15
MW 592.59
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness 1.72

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12828473 10.1021/np020568g NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine