Compound Detail
CHEMBL364554
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Basic Information
| ChEMBL ID | CHEMBL364554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNCWFVJLRHKDJX-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
-0.63
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 6.51 | 5.9633 | 310.0 | 3 |
| Alpha-glucosidase CHEMBL5280 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Beta-glucosidase CHEMBL4192 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sucrase-isomaltase, intestinal | IC50 | = | 310.0 | nM | 6.51 | Inhibition of rat intestinal isomaltase using disaccharide | 15546715 |
| Alpha-glucosidase | IC50 | = | 800.0 | nM | 6.1 | Inhibitory activity against alpha-Glucosidase from rice | 15546715 |
| Sucrase-isomaltase, intestinal | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of rat intestinal sucrase using disaccharide | 15546715 |
| Sucrase-isomaltase, intestinal | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of rat intestinal maltase using disaccharide | 15546715 |
| Beta-glucosidase | IC50 | = | 12000.0 | nM | 4.92 | Inhibitory activity against beta-Glucosidase from sweet almond | 15546715 |
| Unchecked | IC50 | = | 52000.0 | nM | 4.28 | Inhibitory activity against alpha-Glucosidase from Yeast | 15546715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Sucrase-isomaltase, intestinal | 3 |
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Beta-glucosidase A | 1 |
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Alpha-glucosidase | 1 |
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Unchecked | 1 |
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Beta-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine