Compound Detail
CHEMBL1684166
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OC[C@@H]1[C@@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL1684166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATEIRTWZLSRKMU-AEJADQTDSA-M |
| Parent Compound | CHEMBL1739543 |
| Active Moiety | CHEMBL1739543 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
-4.86
ALogP
8
HBA
8
HBD
161.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 6.52 | 6.26 | 300.0 | 2 |
| Acidic alpha-glucosidase CHEMBL3513 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sucrase-isomaltase, intestinal | IC50 | = | 300.0 | nM | 6.52 | Inhibition of rat intestinal sucrase | 21345683 |
| Sucrase-isomaltase, intestinal | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of rat intestinal isomaltase | 21345683 |
| Acidic alpha-glucosidase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of rat intestinal maltase | 21345683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21345683 | 10.1016/j.bmc.2011.01.052 | Sucrase-isomaltase, intestinal | 2 |
| 21345683 | 10.1016/j.bmc.2011.01.052 | Acidic alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine