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Compound Detail

CHEMBL1163254

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CC[C@H]1CC[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)N1

Basic Information

ChEMBL ID CHEMBL1163254
Phase Preclinical
Structure Type MOL
InChI Key NIFSXMTZZIQERU-UKZTVZDSSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
-2.31
ALogP
8
HBA
6
HBD
131.6
PSA (Ų)
0.33
QED
1
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 C14H27NO7
MW 321.37
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 2.32

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
20457528 10.1016/j.bmc.2010.04.048 Unchecked 7
20457528 10.1016/j.bmc.2010.04.048 Probable alpha-glucosidase Os06g0675700 1
20457528 10.1016/j.bmc.2010.04.048 Alpha-galactosidase 1
20457528 10.1016/j.bmc.2010.04.048 Alpha-galactosidase A 1
20457528 10.1016/j.bmc.2010.04.048 Beta-mannosidase 1
20457528 10.1016/j.bmc.2010.04.048 Beta-glucosidase A 1
20457528 10.1016/j.bmc.2010.04.048 Lactase/phlorizin hydrolase 1
20457528 10.1016/j.bmc.2010.04.048 Tissue alpha-L-fucosidase 1
20457528 10.1016/j.bmc.2010.04.048 Uncharacterized protein 1

Data from ChEMBL 36 via Core Engine