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Compound Detail

CHEMBL583176

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CCCCN[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL583176
Phase Preclinical
Structure Type MOL
InChI Key KNQLJVWKKYEBCU-PMXSCFQLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
-1.14
ALogP
5
HBA
4
HBD
82.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H21NO4
MW 231.29
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.69

Literature References

PubMed DOI Target Context # Activities
19853441 10.1016/j.bmcl.2009.10.022 Unchecked 5
19853441 10.1016/j.bmcl.2009.10.022 Beta-glucosidase 1
19853441 10.1016/j.bmcl.2009.10.022 Lysosomal alpha-glucosidase 1

Data from ChEMBL 36 via Core Engine