Compound Detail
CHEMBL86865
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Basic Information
| ChEMBL ID | CHEMBL86865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKMTTWOORXFHAR-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
250.2
MW (Da)
-0.68
ALogP
6
HBA
4
HBD
94.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 6.7 | 5.642 | 200.0 | 5 |
| Alpha-glucosidase CHEMBL2974 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | IC50 | = | 200.0 | nM | 6.7 | Inhibitory activity was determined against Escherichia coli beta galactosidase | - |
| Alpha-glucosidase | IC50 | = | 240.0 | nM | 6.62 | Inhibitory activity was determined against bovine liver beta galactosidase | - |
| Lysosomal acid glucosylceramidase | IC50 | = | 939.0 | nM | 6.03 | Inhibitory activity was determined against Escherichia coli beta galactosidase | - |
| Lysosomal acid glucosylceramidase | IC50 | = | 2160.0 | nM | 5.67 | Inhibitory activity was determined against almonds Beta-glucosidase | - |
| Lysosomal acid glucosylceramidase | IC50 | = | 6390.0 | nM | 5.19 | Inhibitory activity was determined against almonds Beta-glucosidase | - |
| Lysosomal acid glucosylceramidase | IC50 | = | 24000.0 | nM | 4.62 | 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