Compound Detail
CHEMBL5646841
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Basic Information
| ChEMBL ID | CHEMBL5646841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRMAKSBVZBLGJG-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
6.65
ALogP
5
HBA
2
HBD
79.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.14
Ki 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-glucosidase CHEMBL5291954 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| Alpha-glucosidase CHEMBL5291954 | Ki | 4.92 | 4.92 | 12100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-glucosidase | IC50 | = | 730.0 | nM | 6.14 | Inhibition of yeast alpha-glucosidase | 38599295 |
| Alpha-glucosidase | Ki | = | 12100.0 | nM | 4.92 | Binding affinity to yeast alpha glucosidase assessed as inhibition constant | 38599295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38599295 | 10.1016/j.bmcl.2024.129736 | Alpha-glucosidase | 4 |
Data from ChEMBL 36 via Core Engine