Compound Detail
CHEMBL456077
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Basic Information
| ChEMBL ID | CHEMBL456077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJRUOSSQTZGFJV-UHEPRFFZSA-N |
4
Targets
12
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
-3.61
ALogP
6
HBA
6
HBD
113.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 5.7
Ki 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.82 | 5.045 | 1500.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.495 | 2000.0 | 4 |
| Lactase/phlorizin hydrolase CHEMBL3389 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Beta-galactosidase CHEMBL3482 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Uncharacterized protein CHEMBL2176863 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1500.0 | nM | 5.82 | Inhibition of almond beta-glucosidase | 9599261 |
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of Wistar rat intestinal alpha alpha-trehalase | 9599261 |
| Unchecked | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of Caldocellum saccharolyticum beta-glucosidase by spectrophotometry | 15165148 |
| Unchecked | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of Caldocellum saccharolyticum beta-glucosidase | 9599261 |
| Lactase/phlorizin hydrolase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of Wistar rat intestinal lactase | 9599261 |
| Unchecked | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of bovine liver beta-galactosidase | 9599261 |
| Beta-galactosidase | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of bovine liver beta-galactosidase by spectrophotometry | 15165148 |
| Uncharacterized protein | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of pig kidney alpha alpha-trehalase | 9599261 |
| Unchecked | Ki | = | 54000.0 | nM | 4.27 | Inhibition of yeast alpha-glucosidase | 9599261 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9599261 | 10.1021/np9705726 | Unchecked | 6 |
| 9599261 | 10.1021/np9705726 | Acidic alpha-glucosidase | 2 |
| 9599261 | 10.1021/np9705726 | Sucrase-isomaltase, intestinal | 2 |
| 9599261 | 10.1021/np9705726 | Lactase/phlorizin hydrolase | 1 |
| 9599261 | 10.1021/np9705726 | Tissue alpha-L-fucosidase | 1 |
| 9599261 | 10.1021/np9705726 | Uncharacterized protein | 1 |
| 15165148 | 10.1021/np0499721 | Unchecked | 1 |
| 15165148 | 10.1021/np0499721 | Beta-galactosidase | 1 |
Data from ChEMBL 36 via Core Engine