Compound Detail
CHEMBL2368788
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CO[C@H]1O[C@@H](CNC2=N[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 | CHEMBL2368788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSHILOJHYOMXDU-IJVFZIQXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.3
MW (Da)
-5.11
ALogP
11
HBA
8
HBD
184.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
| Lysosomal alpha-glucosidase CHEMBL2608 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2600.0 | nM | 5.58 | Inhibition against Alpha-maninosidase in jack bean | - |
| Lysosomal alpha-glucosidase | Ki | = | 100000.0 | nM | 4.0 | Inhibition against beta-glucosidase in sweet almond | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00474-8 | Unchecked | 1 |
| - | 10.1016/0960-894X(95)00474-8 | Beta-mannosidase | 1 |
| - | 10.1016/0960-894X(95)00474-8 | Lysosomal alpha-glucosidase | 1 |
| - | 10.1016/0960-894X(95)00474-8 | Beta-galactosidase | 1 |
Data from ChEMBL 36 via Core Engine