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Compound Detail

CHEMBL108084

FAGOMINE
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OC[C@H]1NCC[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108084
Name FAGOMINE
Phase Preclinical
Structure Type MOL
InChI Key YZNNBIPIQWYLDM-HSUXUTPPSA-N
5
Targets
24
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

147.2
MW (Da)
-1.94
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.35
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 C6H13NO3
MW 147.17
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 2.96

Activity Summary

IC50 24 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen debranching enzyme
CHEMBL5273
 IC50 5.68 5.68 2100.0 1
Beta-galactosidase
CHEMBL2680
 IC50 4.82 4.82 15000.0 1
Unchecked
CHEMBL612545
 IC50 4.82 4.4967 15000.0 3
Sucrase-isomaltase, intestinal
CHEMBL3114
 IC50 4.47 4.3225 34000.0 4
Beta-galactosidase
CHEMBL3482
 IC50 4.42 4.42 38000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen debranching enzyme IC50 = 2100.0 nM 5.68 Inhibition of rabbit muscle amylo-1,6-glucosidase 18595718
Beta-galactosidase IC50 = 15000.0 nM 4.82 Concentration that causes 50% inhibition of mammalian lactase beta-galactosidase... 7966130
Unchecked IC50 = 15000.0 nM 4.82 Inhibition of rat liver beta-galactosidase by spectrophotometry 9157194
Sucrase-isomaltase, intestinal IC50 = 34000.0 nM 4.47 Inhibition of rat intestinal sucrase assessed as production of p-nitrophenol at ... 21546253
Sucrase-isomaltase, intestinal IC50 = 37000.0 nM 4.43 Inhibition of rat intestinal isomaltase assessed as production of p-nitrophenol ... 21546253
Beta-galactosidase IC50 = 38000.0 nM 4.42 Concentration that causes 50% inhibition of mammalian cytosolic beta-galactosida... 7966130
Unchecked IC50 = 38000.0 nM 4.42 Inhibition of bovine liver beta-galactosidase by spectrophotometry 9157194
Beta-galactosidase IC50 = 38000.0 nM 4.42 Inhibition of bovine liver beta-galactosidase assessed as production of p-nitrop... 21546253
Sucrase-isomaltase, intestinal IC50 = 46000.0 nM 4.34 Inhibition of Wistar rat intestinal isomaltase by glucose B-test 9157194
Unchecked IC50 = 56000.0 nM 4.25 Inhibition of green coffee bean alpha-galactosidase by spectrophotometry 9157194
Sucrase-isomaltase, intestinal IC50 = 90000.0 nM 4.05 Inhibition of rat intestinal brush border membrane sucrase 18595718

Literature References

PubMed DOI Target Context # Activities
21546253 10.1016/j.bmc.2011.04.011 Unchecked 8
9157194 10.1021/np960646y Unchecked 8
7966130 10.1021/jm00048a006 Neutral alpha-glucosidase AB 5
7966130 10.1021/jm00048a006 Beta-galactosidase 5
9544568 10.1021/np970277l Mus musculus 4
9544568 10.1021/np970277l Pancreas 3
- 10.1016/S0960-894X(00)80648-4 Neutral alpha-glucosidase AB 2
21546253 10.1016/j.bmc.2011.04.011 Sucrase-isomaltase, intestinal 2
18595718 10.1016/j.bmc.2008.06.026 Sucrase-isomaltase, intestinal 2
24900342 10.1021/ml200050s Ceramide glucosyltransferase 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
7966130 10.1021/jm00048a006 Acidic alpha-glucosidase 2
- 10.1016/S0960-894X(00)80648-4 Lysosomal acid glucosylceramidase 2
7966130 10.1021/jm00048a006 Beta-glucosidase A 2
7966130 10.1021/jm00048a006 Trehalase 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
7966130 10.1021/jm00048a006 Tissue alpha-L-fucosidase 1
7966130 10.1021/jm00048a006 Alpha-glucosidase 1
18595718 10.1016/j.bmc.2008.06.026 Lysosomal alpha-glucosidase 1
18595718 10.1016/j.bmc.2008.06.026 Lysosomal acid glucosylceramidase 1

Data from ChEMBL 36 via Core Engine