Compound Detail
CHEMBL3349976
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Basic Information
| ChEMBL ID | CHEMBL3349976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSNFEMNRWFDMNU-SRQGCSHVSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
-1.41
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-glucosidase CHEMBL5280 | IC50 | 4.21 | 4.21 | 61000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-glucosidase | IC50 | = | 61000.0 | nM | 4.21 | Inhibitory activity against alpha-Glucosidase from rice | 15546715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Sucrase-isomaltase, intestinal | 3 |
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Alpha-glucosidase | 1 |
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Unchecked | 1 |
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Beta-glucosidase | 1 |
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Beta-glucosidase A | 1 |
| 15546715 | 10.1016/j.bmcl.2004.09.086 | Trehalase | 1 |
Data from ChEMBL 36 via Core Engine