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Compound Detail

CHEMBL2115215

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OC[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2115215
Phase Preclinical
Structure Type MOL
InChI Key CLVUFWXGNIFGNC-BIVRFLNRSA-N
5
Targets
9
Activities
2
Assay Types
0
PK Parameters
7
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 8 meas. best 5.58
Ki 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Maltase-glucoamylase
CHEMBL2074
 Ki 6.35 6.35 450.0 1
Tissue alpha-L-fucosidase
CHEMBL4176
 IC50 5.58 5.58 2600.0 1
Acidic alpha-glucosidase
CHEMBL3513
 IC50 5.52 5.3867 3000.0 3
Maltase-glucoamylase
CHEMBL2074
 IC50 5.5 5.5 3200.0 1
Tissue alpha-L-fucosidase
CHEMBL2710
 IC50 5.36 5.36 4400.0 1
Unchecked
CHEMBL612545
 IC50 4.72 4.72 19250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Maltase-glucoamylase Ki = 450.0 nM 6.35 Compound was tested for binding affinity against alpha-glucosidase 9651160
Tissue alpha-L-fucosidase IC50 = 2600.0 nM 5.58 Inhibitory activity measured against alpha-L-fucosidase of bovine epididymis by ... 9651160
Acidic alpha-glucosidase IC50 = 3000.0 nM 5.52 Inhibitory activity measured against alpha-glucosidase of rat intestinal sucrase... 9651160
Maltase-glucoamylase IC50 = 3200.0 nM 5.5 Inhibitory activity measured against alpha-glucosidase of rice by colorimetric a... 9651160
Tissue alpha-L-fucosidase IC50 = 4400.0 nM 5.36 Inhibitory activity measured against alpha-L-fucosidase of rat epididymis by col... 9651160
Acidic alpha-glucosidase IC50 = 4600.0 nM 5.34 Inhibitory activity measured against alpha-glucosidase of rat intestinal maltase... 9651160
Acidic alpha-glucosidase IC50 = 5000.0 nM 5.3 Inhibitory activity measured against alpha-glucosidase of rat liver lysosomal by... 9651160
Unchecked IC50 = 19250.0 nM 4.72 Inhibition of rat intestinal alpha-glucosidase using sucrose as substrate assess... 23993676

Literature References

PubMed DOI Target Context # Activities
9651160 10.1021/jm970836l Acidic alpha-glucosidase 3
9651160 10.1021/jm970836l Maltase-glucoamylase 2
9651160 10.1021/jm970836l Unchecked 2
9651160 10.1021/jm970836l Tissue alpha-L-fucosidase 2
9651160 10.1021/jm970836l Trehalase 1
9651160 10.1021/jm970836l Alpha-galactosidase A 1
23993676 10.1016/j.bmc.2013.07.048 Unchecked 1

Data from ChEMBL 36 via Core Engine