Compound Detail
CHEMBL1818432
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Basic Information
| ChEMBL ID | CHEMBL1818432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPYJXFZUIJOGNX-KVQBGUIXSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
147.2
MW (Da)
-2.08
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.34
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas.
Ki 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Lysosomal alpha-glucosidase CHEMBL2608 | Ki | 4.07 | 4.07 | 86000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | Ki | = | 110.0 | nM | 6.96 | Inhibitory activity against beta-glucosidase of sweet almond | 10098675 |
| Lysosomal alpha-glucosidase | Ki | = | 86000.0 | nM | 4.07 | Inhibitory activity against alpha-glucosidase of yeast | 10098675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21546253 | 10.1016/j.bmc.2011.04.011 | Unchecked | 8 |
| 21546253 | 10.1016/j.bmc.2011.04.011 | Sucrase-isomaltase, intestinal | 2 |
| 10098675 | 10.1016/s0960-894x(99)00042-6 | Lysosomal acid glucosylceramidase | 1 |
| 10098675 | 10.1016/s0960-894x(99)00042-6 | Lysosomal alpha-glucosidase | 1 |
| 21546253 | 10.1016/j.bmc.2011.04.011 | Lysosomal acid glucosylceramidase | 1 |
| 21546253 | 10.1016/j.bmc.2011.04.011 | Lactase/phlorizin hydrolase | 1 |
| 21546253 | 10.1016/j.bmc.2011.04.011 | Tissue alpha-L-fucosidase | 1 |
| 21546253 | 10.1016/j.bmc.2011.04.011 | Glucosylceramidase | 1 |
| 21546253 | 10.1016/j.bmc.2011.04.011 | Beta-galactosidase | 1 |
Data from ChEMBL 36 via Core Engine