Compound Detail
CHEMBL4470451
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Basic Information
| ChEMBL ID | CHEMBL4470451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMLRUQZDVOCKFS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
5.42
ALogP
4
HBA
2
HBD
62.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Ki 1 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha glucosidase CHEMBL3833502 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Tyrosinase CHEMBL3318 | Ki | 5.79 | 5.79 | 1640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha glucosidase | IC50 | = | 170.0 | nM | 6.77 | Inhibition of alpha-glucosidase (unknown origin) | 31112894 |
| Tyrosinase | Ki | = | 1640.0 | nM | 5.79 | Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as inhibiti... | 34365131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31112894 | 10.1016/j.ejmech.2019.04.025 | Alpha glucosidase | 1 |
| 34365131 | 10.1016/j.ejmech.2021.113744 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine