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Compound Detail

CHEMBL87169

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OCC1NC(CO)[C@@H](O)C(O)C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL87169
Phase Preclinical
Structure Type MOL
InChI Key CLVUFWXGNIFGNC-BQHSNLCNSA-N
6
Targets
11
Activities
2
Assay Types
0
PK Parameters
6
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 10 meas. best 6.16
Ki 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Maltase-glucoamylase
CHEMBL2074
 IC50 6.16 6.16 700.0 1
Acidic alpha-glucosidase
CHEMBL3513
 IC50 6.1 5.8233 800.0 3
Alpha-galactosidase A
CHEMBL2524
 IC50 5.19 5.19 6400.0 1
Maltase-glucoamylase
CHEMBL2074
 Ki 5.16 5.16 6900.0 1
Tissue alpha-L-fucosidase
CHEMBL2710
 IC50 4.7 4.7 20000.0 1
Tissue alpha-L-fucosidase
CHEMBL4176
 IC50 4.42 4.42 38000.0 1
Unchecked
CHEMBL612545
 IC50 4.07 4.07 86000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Maltase-glucoamylase IC50 = 700.0 nM 6.16 Inhibitory activity measured against alpha-glucosidase of rice by colorimetric a... 9651160
Acidic alpha-glucosidase IC50 = 800.0 nM 6.1 Inhibitory activity measured against alpha-glucosidase of rat intestinal sucrase... 9651160
Acidic alpha-glucosidase IC50 = 1600.0 nM 5.8 Inhibitory activity measured against alpha-glucosidase of rat intestinal maltase... 9651160
Acidic alpha-glucosidase IC50 = 2700.0 nM 5.57 Inhibitory activity measured against alpha-glucosidase of rat liver lysosomal by... 9651160
Alpha-galactosidase A IC50 = 6400.0 nM 5.19 Inhibitory activity measured against alpha-galactosidase of coffee bean by color... 9651160
Maltase-glucoamylase Ki = 6900.0 nM 5.16 Compound was tested for binding affinity against alpha-glucosidase 9651160
Tissue alpha-L-fucosidase IC50 = 20000.0 nM 4.7 Inhibitory activity measured against alpha-L-fucosidase of rat epididymis by col... 9651160
Tissue alpha-L-fucosidase IC50 = 38000.0 nM 4.42 Inhibitory activity measured against alpha-L-fucosidase of bovine epididymis by ... 9651160
Unchecked IC50 = 86000.0 nM 4.07 Inhibitory activity measured against beta-galactosidase of bovine liver by color... 9651160

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

Data from ChEMBL 36 via Core Engine