Compound Detail
CHEMBL87120
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Basic Information
| ChEMBL ID | CHEMBL87120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZCRRHQKPAEPKL-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
149.2
MW (Da)
-3.23
ALogP
5
HBA
5
HBD
106.9
PSA (Ų)
0.25
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 5.11 | 4.7067 | 7780.0 | 3 |
| Alpha-glucosidase CHEMBL2974 | IC50 | 4.33 | 4.33 | 46900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | IC50 | = | 7780.0 | nM | 5.11 | Inhibitory activity was determined against Escherichia coli beta galactosidase | - |
| Lysosomal acid glucosylceramidase | IC50 | = | 11700.0 | nM | 4.93 | Inhibitory activity was determined against almonds beta-glucosidase | - |
| Alpha-glucosidase | IC50 | = | 46900.0 | nM | 4.33 | Inhibitory activity was determined against bovine liver beta galactosidase | - |
| Lysosomal acid glucosylceramidase | IC50 | = | 83800.0 | nM | 4.08 | 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 | 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