Compound Detail
CHEMBL5542429
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O=C(CSc1nc2ccccc2cc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc2ccccc2c1
Basic Information
| ChEMBL ID | CHEMBL5542429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUBMJWMLSVTABF-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
562.7
MW (Da)
8.84
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.91
Ki 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-glucosidase CHEMBL5291954 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
| Alpha-glucosidase CHEMBL5291954 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-glucosidase | IC50 | = | 1220.0 | nM | 5.91 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alp... | 38508120 |
| Alpha-glucosidase | Ki | = | 2200.0 | nM | 5.66 | Competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using varyi... | 38508120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38508120 | 10.1016/j.ejmech.2024.116332 | Alpha-glucosidase | 2 |
Data from ChEMBL 36 via Core Engine