Compound Detail
CHEMBL4466646
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Basic Information
| ChEMBL ID | CHEMBL4466646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRGVAUFAFOQEGB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
3.30
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha amylase CHEMBL6066863 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Alpha glucosidase CHEMBL3833502 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha amylase | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of alpha-amylase (unknown origin) using starch as substrate preincuba... | 31514061 |
| Alpha glucosidase | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of alpha-glucosidase (unknown origin) | 31514061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31514061 | 10.1016/j.ejmech.2019.111677 | Alpha glucosidase | 3 |
| 31514061 | 10.1016/j.ejmech.2019.111677 | Alpha amylase | 1 |
Data from ChEMBL 36 via Core Engine