Compound Detail
CHEMBL5280416
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Basic Information
| ChEMBL ID | CHEMBL5280416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPZPSTQFAWTJMZ-OWOJBTEDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
248.2
MW (Da)
1.17
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 5.44 | 5.44 | 3630.0 | 1 |
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Molecular identity unknown CHEMBL612546 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 3630.0 | nM | 5.44 | Inhibition of mushroom tyrosinase | 34023737 |
| Molecular identity unknown | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of human Tyrosine kinase | 37487307 |
| Mushroom tyrosinase | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of mushroom Tyrosinase | 37487307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34023737 | 10.1016/j.ejmech.2021.113546 | Tyrosinase | 1 |
| 34023737 | 10.1016/j.ejmech.2021.113546 | Unchecked | 1 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Molecular identity unknown | 1 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Mushroom tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine