Compound Detail
CHEMBL5430164
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Basic Information
| ChEMBL ID | CHEMBL5430164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCMPNCXUMRBJNE-ZSOIEALJSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
2.79
ALogP
5
HBA
2
HBD
70.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.52
IC50 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | Ki | 8.52 | 7.02 | 3.0 | 2 |
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | Ki | = | 3.02 | nM | 8.52 | Binding affinity to mushroom tyrosinase assessed as inhibition constant | 35717871 |
| Mushroom tyrosinase | Ki | = | 3020.0 | nM | 5.52 | Binding affinity to mushroom tyrosinase assessed as inhibition constant | 35717871 |
| Mushroom tyrosinase | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of mushroom tyrosinase | 35717871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35717871 | 10.1016/j.ejmech.2022.114525 | Mushroom tyrosinase | 4 |
| 35717871 | 10.1016/j.ejmech.2022.114525 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine