Compound Detail
CHEMBL501385
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Basic Information
| ChEMBL ID | CHEMBL501385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPYJXFZUIJOGNX-ZLUOBGJFSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
13
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 8 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 5.06 | 5.055 | 8700.0 | 2 |
| Lactase/phlorizin hydrolase CHEMBL3389 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | IC50 | = | 8700.0 | nM | 5.06 | Inhibition of human lysosome beta-glucosidase assessed as production of 4-methyl... | 21546253 |
| Lysosomal acid glucosylceramidase | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of human lysosomal beta-glucosidase | 18595718 |
| Lactase/phlorizin hydrolase | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of rat intestinal lactase assessed as production of p-nitrophenol by ... | 21546253 |
| Sucrase-isomaltase, intestinal | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of rat intestinal sucrase assessed as production of p-nitrophenol at ... | 21546253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21546253 | 10.1016/j.bmc.2011.04.011 | Unchecked | 8 |
| 18595718 | 10.1016/j.bmc.2008.06.026 | Sucrase-isomaltase, intestinal | 2 |
| 21546253 | 10.1016/j.bmc.2011.04.011 | Sucrase-isomaltase, intestinal | 2 |
| 18595718 | 10.1016/j.bmc.2008.06.026 | Acidic alpha-glucosidase | 1 |
| 18595718 | 10.1016/j.bmc.2008.06.026 | Lysosomal alpha-glucosidase | 1 |
| 18595718 | 10.1016/j.bmc.2008.06.026 | Lysosomal acid glucosylceramidase | 1 |
| 18595718 | 10.1016/j.bmc.2008.06.026 | Unchecked | 1 |
| 18595718 | 10.1016/j.bmc.2008.06.026 | Glycogen debranching enzyme | 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 | Lysosomal acid glucosylceramidase | 1 |
| 21546253 | 10.1016/j.bmc.2011.04.011 | Beta-galactosidase | 1 |
Data from ChEMBL 36 via Core Engine