Compound Detail
CHEMBL2159763
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O=S(=O)([O-])O[C@@H]([C@@H](O)[C@@H](O)[C@H](O)CO)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO
Basic Information
| ChEMBL ID | CHEMBL2159763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMKXVFDVAGCPBS-YHSPEHNFSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
-6.02
ALogP
12
HBA
8
HBD
228.3
PSA (Ų)
0.09
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 5.8 | 4.985 | 1600.0 | 2 |
| Acidic alpha-glucosidase CHEMBL3513 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sucrase-isomaltase, intestinal | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of rat small intestinal isomaltase after 30 mins by glucose-oxidase m... | 23031648 |
| Acidic alpha-glucosidase | IC50 | = | 49000.0 | nM | 4.31 | Inhibition of rat small intestinal maltase after 30 mins by glucose-oxidase meth... | 23031648 |
| Sucrase-isomaltase, intestinal | IC50 | = | 67000.0 | nM | 4.17 | Inhibition of rat small intestinal sucrase after 30 mins by glucose-oxidase meth... | 23031648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23031648 | 10.1016/j.bmc.2012.09.006 | Sucrase-isomaltase, intestinal | 2 |
| 23031648 | 10.1016/j.bmc.2012.09.006 | Acidic alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine