Compound Detail
CHEMBL86772
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Basic Information
| ChEMBL ID | CHEMBL86772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSFQMRKUJZUIRS-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
-1.32
ALogP
7
HBA
5
HBD
114.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal alpha-glucosidase CHEMBL2608 | IC50 | 7.99 | 7.99 | 10.3 | 1 |
| Alpha-glucosidase CHEMBL2974 | IC50 | 6.24 | 5.4167 | 571.0 | 3 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 5.31 | 5.31 | 4890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal alpha-glucosidase | IC50 | = | 10.3 | nM | 7.99 | Inhibitory activity was determined against baker's yeast Alpha-Glucosidase | - |
| Alpha-glucosidase | IC50 | = | 571.0 | nM | 6.24 | Inhibitory activity was determined against bovine liver beta galactosidase | - |
| Alpha-glucosidase | IC50 | = | 1890.0 | nM | 5.72 | Inhibitory activity was determined against bovine liver beta galactosidase | - |
| Lysosomal acid glucosylceramidase | IC50 | = | 4890.0 | nM | 5.31 | Inhibitory activity was determined against almonds Beta-glucosidase | - |
| Alpha-glucosidase | IC50 | = | 51700.0 | nM | 4.29 | Inhibitory activity was determined against bovine liver beta galactosidase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80688-0 | Lysosomal alpha-glucosidase | 6 |
| - | 10.1016/S0960-894X(01)80688-0 | Lysosomal acid glucosylceramidase | 6 |
| - | 10.1016/S0960-894X(01)80688-0 | Alpha-glucosidase | 3 |
Data from ChEMBL 36 via Core Engine