Compound Detail
CHEMBL5594681
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Basic Information
| ChEMBL ID | CHEMBL5594681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJKFHPCWCOXSPU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
1.72
ALogP
3
HBA
2
HBD
52.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 7.4 | 7.18 | 40.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of mushroom tyrosinase diphenolase activity using L-dopa as substrate... | 38244374 |
| Mushroom tyrosinase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as sub... | 38244374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38244374 | 10.1016/j.ejmech.2024.116136 | No relevant target | 3 |
| 38244374 | 10.1016/j.ejmech.2024.116136 | Mushroom tyrosinase | 2 |
| 38244374 | 10.1016/j.ejmech.2024.116136 | Danio rerio | 2 |
Data from ChEMBL 36 via Core Engine