Compound Detail
CHEMBL478209
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OC[C@H]1N[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL478209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCIPQQCYKMORDY-KBYFLBCBSA-N |
5
Targets
6
Activities
1
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
355.3
MW (Da)
-5.78
ALogP
11
HBA
9
HBD
192.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acidic alpha-glucosidase CHEMBL3513 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 6.22 | 5.9 | 600.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.38 | 5.38 | 4220.0 | 1 |
| Glycogen debranching enzyme CHEMBL5273 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| Lysosomal alpha-glucosidase CHEMBL2608 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3408000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 2584000.0 | ng.hr.mL-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acidic alpha-glucosidase | IC50 | = | 380.0 | nM | 6.42 | Inhibition of rat intestinal brush border membrane maltase | 18595718 |
| Sucrase-isomaltase, intestinal | IC50 | = | 600.0 | nM | 6.22 | Inhibition of rat intestinal brush border membrane isomaltase | 18595718 |
| Sucrase-isomaltase, intestinal | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of rat intestinal brush border membrane sucrase | 18595718 |
| Unchecked | IC50 | = | 4220.0 | nM | 5.38 | Inhibition of rat intestinal alpha-glucosidase using sucrose as substrate assess... | 23993676 |
| Glycogen debranching enzyme | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of rabbit muscle amylo-1,6-glucosidase | 18595718 |
| Lysosomal alpha-glucosidase | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of human lysosomal alpha-glucosidase | 18595718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23993676 | 10.1016/j.bmc.2013.07.048 | Mus musculus | 8 |
| 18595718 | 10.1016/j.bmc.2008.06.026 | Sucrase-isomaltase, intestinal | 2 |
| 18595718 | 10.1016/j.bmc.2008.06.026 | Acidic 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 |
| 18595718 | 10.1016/j.bmc.2008.06.026 | Unchecked | 1 |
| 18595718 | 10.1016/j.bmc.2008.06.026 | Glycogen debranching enzyme | 1 |
| 23993676 | 10.1016/j.bmc.2013.07.048 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine