Compound Detail
CHEMBL4539474
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Basic Information
| ChEMBL ID | CHEMBL4539474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAOIEUFSRLEXII-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.9
MW (Da)
7.83
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha glucosidase CHEMBL3833502 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Alpha-glucosidase CHEMBL5291954 | IC50 | 4.71 | 4.71 | 19600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha glucosidase | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glu... | 31112894 |
| Alpha-glucosidase | IC50 | = | 19600.0 | nM | 4.71 | 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 | Alpha glucosidase | 1 |
| 36680985 | 10.1016/j.ejmech.2023.115119 | Alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine