Compound Detail
CHEMBL382280
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Basic Information
| ChEMBL ID | CHEMBL382280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSMBKKLWWRPLBX-NTEUORMPSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.40
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.91
Ki 1 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.13 | 5.13 | 7380.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.91 | 4.495 | 12400.0 | 2 |
| Alpha-amylase CHEMBL4215 | IC50 | 4.43 | 4.43 | 37300.0 | 1 |
| Tissue alpha-L-fucosidase CHEMBL3545 | IC50 | 4.04 | 4.04 | 91000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 7380.0 | nM | 5.13 | Inhibitory activity against baker's yeast alpha glucosidase | 16202584 |
| Unchecked | IC50 | = | 12400.0 | nM | 4.91 | Inhibitory activity against baker's yeast alpha glucosidase | 16202584 |
| Alpha-amylase | IC50 | = | 37300.0 | nM | 4.43 | Inhibitory activity against Bacillus licheniformis alpha amylase | 16202584 |
| Unchecked | IC50 | = | 82670.0 | nM | 4.08 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using PNPG as substrate... | 31927314 |
| Tissue alpha-L-fucosidase | IC50 | = | 91000.0 | nM | 4.04 | Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated f... | 31927314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16202584 | 10.1016/j.bmcl.2005.08.087 | Unchecked | 2 |
| 16202584 | 10.1016/j.bmcl.2005.08.087 | Alpha-amylase | 1 |
| 16202584 | 10.1016/j.bmcl.2005.08.087 | Beta-amylase | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Unchecked | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Tissue alpha-L-fucosidase | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Alpha-mannosidase | 1 |
Data from ChEMBL 36 via Core Engine