Compound Detail
CHEMBL4516081
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Basic Information
| ChEMBL ID | CHEMBL4516081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRBGJATXGIOVIJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
3.73
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-glucosidase CHEMBL5291954 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-d-glucopyranosid... | 31112894 |
| Alpha-glucosidase | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alp... | 36680985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31112894 | 10.1016/j.ejmech.2019.04.025 | Unchecked | 1 |
| 36680985 | 10.1016/j.ejmech.2023.115119 | Alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine