Compound Detail
CHEMBL5402358
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Basic Information
| ChEMBL ID | CHEMBL5402358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNNGFUAAFBFUHB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
551.5
MW (Da)
8.07
ALogP
6
HBA
0
HBD
64.7
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-glucosidase CHEMBL5291954 | IC50 | 7.55 | 7.55 | 28.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-glucosidase | IC50 | = | 28.47 | nM | 7.55 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as substrate... | 36680985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36680985 | 10.1016/j.ejmech.2023.115119 | Alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine