Compound Detail
CHEMBL4544953
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Basic Information
| ChEMBL ID | CHEMBL4544953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZTPFACLHBXGIV-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
461.3
MW (Da)
4.79
ALogP
6
HBA
1
HBD
72.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.21 | 6.105 | 610.0 | 2 |
| Beta-glucuronidase CHEMBL2728 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Alpha-glucosidase CHEMBL5291954 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 610.0 | nM | 6.21 | Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-d-glucopyranosid... | 31112894 |
| Beta-glucuronidase | IC50 | = | 750.0 | nM | 6.12 | Inhibition of beta-glucuronidase (unknown origin) | 31835168 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of alpha-glucosidase (unknown origin) | 32008883 |
| Alpha-glucosidase | IC50 | = | 1000.0 | nM | 6.0 | 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 |
| 31835168 | 10.1016/j.ejmech.2019.111921 | Beta-glucuronidase | 1 |
| 32008883 | 10.1016/j.bmc.2019.115263 | Unchecked | 1 |
| 36680985 | 10.1016/j.ejmech.2023.115119 | Alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine