Compound Detail
CHEMBL108656
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Basic Information
| ChEMBL ID | CHEMBL108656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBVGWVBGOXTUDE-XUQKIGAKSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
191.2
MW (Da)
-2.19
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutral alpha-glucosidase AB CHEMBL2519 | Ki | 5.52 | 4.87 | 3000.0 | 2 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | Ki | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutral alpha-glucosidase AB | Ki | = | 3000.0 | nM | 5.52 | Competitive Inhibition constant on yeast alpha Glucosidase at pH 5.0 | - |
| Lysosomal acid glucosylceramidase | Ki | = | 42000.0 | nM | 4.38 | Competitive Inhibition constant on Asp. Wentii beta Glucosidase at pH 5.0 | - |
| Neutral alpha-glucosidase AB | Ki | = | 60000.0 | nM | 4.22 | Competitive Inhibition constant on yeast alpha Glucosidase at pH 6.0 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80648-4 | Neutral alpha-glucosidase AB | 5 |
| - | 10.1016/S0960-894X(00)80648-4 | Lysosomal acid glucosylceramidase | 2 |
| - | 10.1016/S0960-894X(00)80648-4 | Unchecked | 2 |
| - | 10.1016/S0960-894X(00)80648-4 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine