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Compound Detail

CHEMBL501355

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OC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL501355
Phase Preclinical
Structure Type MOL
InChI Key CLVUFWXGNIFGNC-OVHBTUCOSA-N
8
Targets
16
Activities
2
Assay Types
2
PK Parameters
19
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
-3.61
ALogP
6
HBA
6
HBD
113.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H15NO5
MW 193.20
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.84

Activity Summary

IC50 15 meas. best 7.4
EC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Maltase-glucoamylase
CHEMBL2074
IC50 7.4 7.4 40.0 1
Acidic alpha-glucosidase
CHEMBL3513
IC50 7.1 6.36 80.0 6
Unchecked
CHEMBL612545
IC50 7.05 7.05 90.0 1
Lysosomal alpha-glucosidase
CHEMBL2608
IC50 7.0 6.5 100.0 2
Glycogen debranching enzyme
CHEMBL5273
IC50 6.96 6.96 110.0 1
Sucrase-isomaltase, intestinal
CHEMBL3114
IC50 6.77 6.465 170.0 2
Neutral alpha-glucosidase C
CHEMBL3635
IC50 6.47 6.47 340.0 1
Trehalase
CHEMBL3248
IC50 4.47 4.47 34000.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 2994000.0 ng.hr.mL-1 Mus musculus
AUC 2682000.0 ng.hr.mL-1 Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Maltase-glucoamylase IC50 = 40.0 nM 7.4 Inhibitory activity measured against alpha-glucosidase of rice by colorimetric a... 9651160
Acidic alpha-glucosidase IC50 = 80.0 nM 7.1 Inhibition of rat intestinal brush border membrane maltase 18595718
Unchecked IC50 = 90.0 nM 7.05 Inhibition of rat intestinal alpha-glucosidase using sucrose as substrate assess... 23993676
Lysosomal alpha-glucosidase IC50 = 100.0 nM 7.0 Inhibition of maltase in human Caco-2 cell model system after 2 hrs 18595718
Glycogen debranching enzyme IC50 = 110.0 nM 6.96 Inhibition of rabbit muscle amylo-1,6-glucosidase 18595718
Acidic alpha-glucosidase IC50 = 170.0 nM 6.77 Inhibitory activity measured against alpha-glucosidase of rat intestinal sucrase... 9651160
Sucrase-isomaltase, intestinal IC50 = 170.0 nM 6.77 Inhibition of rat intestinal brush border membrane sucrase 18595718
Acidic alpha-glucosidase IC50 = 260.0 nM 6.58 Inhibitory activity measured against alpha-glucosidase of rat liver lysosomal by... 9651160
Neutral alpha-glucosidase C IC50 = 340.0 nM 6.47 Inhibitory activity against alpha-glucosidase from rat intestinal maltase 10560746
Acidic alpha-glucosidase IC50 = 340.0 nM 6.47 Inhibitory activity measured against alpha-glucosidase of rat intestinal maltase... 9651160
Acidic alpha-glucosidase IC50 = 700.0 nM 6.16 Inhibitory activity measured against alpha-glucosidase of rat intestinal isomalt... 9651160
Sucrase-isomaltase, intestinal IC50 = 700.0 nM 6.16 Inhibition of rat intestinal brush border membrane isomaltase 18595718
Lysosomal alpha-glucosidase IC50 = 1000.0 nM 6.0 Inhibition of human lysosomal alpha-glucosidase 18595718
Acidic alpha-glucosidase IC50 = 8400.0 nM 5.08 Inhibitory activity measured against alpha-glucosidase of rat liver ER glucosida... 9651160
Trehalase IC50 = 34000.0 nM 4.47 Inhibitory activity measured against trehalase of porcine kidney by colorimetric... 9651160

Literature References

PubMed DOI Target Context # Activities
23993676 10.1016/j.bmc.2013.07.048 Mus musculus 8
9651160 10.1021/jm970836l Acidic alpha-glucosidase 5
10560746 10.1016/s0960-894x(99)00551-x Neutral alpha-glucosidase C 2
18595718 10.1016/j.bmc.2008.06.026 Lysosomal alpha-glucosidase 2
9651160 10.1021/jm970836l Unchecked 2
9651160 10.1021/jm970836l Tissue alpha-L-fucosidase 2
18595718 10.1016/j.bmc.2008.06.026 Sucrase-isomaltase, intestinal 2
23993676 10.1016/j.bmc.2013.07.048 Unchecked 1
18595718 10.1016/j.bmc.2008.06.026 Glycogen debranching enzyme 1
18595718 10.1016/j.bmc.2008.06.026 Unchecked 1
18595718 10.1016/j.bmc.2008.06.026 Lysosomal acid glucosylceramidase 1
18595718 10.1016/j.bmc.2008.06.026 Acidic alpha-glucosidase 1
9544568 10.1021/np970277l Mus musculus 1
9651160 10.1021/jm970836l Alpha-galactosidase A 1
9651160 10.1021/jm970836l Trehalase 1
9651160 10.1021/jm970836l Maltase-glucoamylase 1
10560746 10.1016/s0960-894x(99)00551-x Tissue alpha-L-fucosidase 1
10560746 10.1016/s0960-894x(99)00551-x Beta-galactosidase 1
10560746 10.1016/s0960-894x(99)00551-x Alpha-galactosidase A 1

Data from ChEMBL 36 via Core Engine