Compound Detail
CHEMBL2409320
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Basic Information
| ChEMBL ID | CHEMBL2409320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHKBAXKKOKQMPN-VAYJURFESA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
133.2
MW (Da)
-2.33
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.34
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.72 | 4.44 | 19000.0 | 2 |
| Alpha-glucosidase CHEMBL3435 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of rhizopus amyloglucosidase | 23545138 |
| Alpha-glucosidase | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of Aspergillus niger alpha-glucosidase | 23545138 |
| Unchecked | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of rat beta-galactosidase | 23545138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23545138 | 10.1016/j.bmc.2013.03.004 | Unchecked | 13 |
| 23545138 | 10.1016/j.bmc.2013.03.004 | Beta-glucuronidase | 1 |
| 23545138 | 10.1016/j.bmc.2013.03.004 | Tissue alpha-L-fucosidase | 1 |
| 23545138 | 10.1016/j.bmc.2013.03.004 | Beta-galactosidase | 1 |
| 23545138 | 10.1016/j.bmc.2013.03.004 | Glucosylceramidase | 1 |
| 23545138 | 10.1016/j.bmc.2013.03.004 | Alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine