Compound Detail
CHEMBL5272442
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Basic Information
| ChEMBL ID | CHEMBL5272442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXTGOJVKRHFYBT-ORBTUSEBSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
205.2
MW (Da)
-3.51
ALogP
6
HBA
5
HBD
104.4
PSA (Ų)
0.30
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.28 | 4.926 | 5296.6 | 5 |
| Alpha-glucosidase CHEMBL5291954 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of Aspergillus niger amyloglucosidase | 36332547 |
| Unchecked | IC50 | = | 5296.63 | nM | 5.28 | Inhibition of Aspergillus niger amyloglucosidase using p-nitrophenyl glycoside a... | 36332547 |
| Unchecked | IC50 | = | 9700.0 | nM | 5.01 | Inhibition of porcine kidney alpha/alpha-trehalase | 36332547 |
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of rat intestinal maltase | 36332547 |
| Alpha-glucosidase | IC50 | = | 46000.0 | nM | 4.34 | Inhibition of yeast alpha-glucosidase | 36332547 |
| Unchecked | IC50 | = | 68000.0 | nM | 4.17 | Inhibition of rice alpha-glucosidase | 36332547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36332547 | 10.1016/j.ejmech.2022.114852 | Unchecked | 12 |
| 36332547 | 10.1016/j.ejmech.2022.114852 | Alpha-glucosidase | 1 |
| 36332547 | 10.1016/j.ejmech.2022.114852 | Alpha-galactosidase | 1 |
| 36332547 | 10.1016/j.ejmech.2022.114852 | Alpha-mannosidase | 1 |
| 36332547 | 10.1016/j.ejmech.2022.114852 | Tissue alpha-L-fucosidase | 1 |
Data from ChEMBL 36 via Core Engine