Compound Detail
CHEMBL4458405
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Basic Information
| ChEMBL ID | CHEMBL4458405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHPCFPLGJRAHTE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.8
MW (Da)
3.58
ALogP
7
HBA
1
HBD
98.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.72 | 4.7133 | 19000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-d-glucopyranosid... | 31112894 |
| Unchecked | IC50 | = | 19270.0 | nM | 4.71 | Inhibition of alpha-glucosidase (unknown origin) | 32008883 |
| Unchecked | IC50 | = | 19270.0 | nM | 4.71 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase type I using p-nitrophe... | 36680985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36680985 | 10.1016/j.ejmech.2023.115119 | Unchecked | 2 |
| 31112894 | 10.1016/j.ejmech.2019.04.025 | Unchecked | 1 |
| 32008883 | 10.1016/j.bmc.2019.115263 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine