Compound Detail
CHEMBL5286240
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Basic Information
| ChEMBL ID | CHEMBL5286240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZALJMXKXKJMOAI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.2
MW (Da)
1.38
ALogP
6
HBA
1
HBD
93.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.43
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | Ki | = | 0.3 | nM | 9.52 | Binding affinity to mushroom tyrosinase assessed as inhibition constant using L-... | 35717871 |
| Mushroom tyrosinase | IC50 | = | 37.0 | nM | 7.43 | Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 ... | 35717871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35717871 | 10.1016/j.ejmech.2022.114525 | Mushroom tyrosinase | 2 |
| 34365131 | 10.1016/j.ejmech.2021.113744 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine