Compound Detail
CHEMBL88413
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Basic Information
| ChEMBL ID | CHEMBL88413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFHSAAAKCQFNFB-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
-3.87
ALogP
6
HBA
6
HBD
127.2
PSA (Ų)
0.24
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal alpha-glucosidase CHEMBL2608 | IC50 | 6.4 | 6.135 | 402.0 | 2 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 4.53 | 4.53 | 29300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal alpha-glucosidase | IC50 | = | 402.0 | nM | 6.4 | Inhibitory activity was determined against baker's yeast Alpha-Glucosidase | - |
| Lysosomal alpha-glucosidase | IC50 | = | 1340.0 | nM | 5.87 | Inhibitory activity against baker's yeast Alpha-galactosidase | - |
| Lysosomal acid glucosylceramidase | IC50 | = | 29300.0 | nM | 4.53 | Inhibitory activity was determined against almonds beta-glucosidase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80688-0 | Lysosomal alpha-glucosidase | 5 |
| - | 10.1016/S0960-894X(01)80688-0 | Lysosomal acid glucosylceramidase | 4 |
| - | 10.1016/S0960-894X(01)80688-0 | Alpha-glucosidase | 2 |
Data from ChEMBL 36 via Core Engine