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Compound Detail

CHEMBL369297

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OC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL369297
Phase Preclinical
Structure Type MOL
InChI Key LXBIFEVIBLOUGU-FSIIMWSLSA-N
3
Targets
11
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

163.2
MW (Da)
-2.97
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H13NO4
MW 163.17
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 2.44

Activity Summary

IC50 11 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-glucosidase
CHEMBL5280
IC50 5.37 5.37 4300.0 1
Unchecked
CHEMBL612545
IC50 5.37 4.96 4300.0 2
Sucrase-isomaltase, intestinal
CHEMBL3114
IC50 4.75 4.65 18000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21546253 10.1016/j.bmc.2011.04.011 Unchecked 8
15771446 10.1021/jm0495881 Beta-galactosidase 3
15771446 10.1021/jm0495881 Tissue alpha-L-fucosidase 2
15771446 10.1021/jm0495881 Cytosolic beta-glucosidase 2
21546253 10.1016/j.bmc.2011.04.011 Sucrase-isomaltase, intestinal 2
15771446 10.1021/jm0495881 Beta-mannosidase 2
21546253 10.1016/j.bmc.2011.04.011 Beta-galactosidase 1
15771446 10.1021/jm0495881 Alpha-glucosidase 1
21546253 10.1016/j.bmc.2011.04.011 Tissue alpha-L-fucosidase 1
21546253 10.1016/j.bmc.2011.04.011 Lysosomal acid glucosylceramidase 1
21546253 10.1016/j.bmc.2011.04.011 Glucosylceramidase 1
21546253 10.1016/j.bmc.2011.04.011 Lactase/phlorizin hydrolase 1
15771446 10.1021/jm0495881 Alpha-galactosidase C 1
15771446 10.1021/jm0495881 Alpha-galactosidase 1
15771446 10.1021/jm0495881 Epididymis-specific alpha-mannosidase 1
15771446 10.1021/jm0495881 Alpha-mannosidase 1
15771446 10.1021/jm0495881 Sucrase-isomaltase, intestinal 1
15771446 10.1021/jm0495881 Alpha-galactosidase A 1
15771446 10.1021/jm0495881 Lysosomal alpha-mannosidase 1
15771446 10.1021/jm0495881 Maltase-glucoamylase 1

Data from ChEMBL 36 via Core Engine