Compound Detail
CHEMBL5289108
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Basic Information
| ChEMBL ID | CHEMBL5289108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPOAQXLHGDPVCX-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
495.4
MW (Da)
5.44
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.15
IC50 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| Mushroom tyrosinase CHEMBL6066154 | Ki | 8.15 | 8.15 | 7.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | IC50 | = | 4.8 | nM | 8.32 | Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 ... | 35717871 |
| Mushroom tyrosinase | Ki | = | 7.0 | nM | 8.15 | Binding affinity to mushroom tyrosinase assessed as inhibition constant using L-... | 35717871 |
| Mushroom tyrosinase | Ki | = | 7.0 | nM | 8.15 | Binding affinity to mushroom tyrosinase assessed as binding constant by fluoresc... | 37482020 |
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 |
| 37482020 | 10.1016/j.ejmech.2023.115655 | Mushroom tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine