Compound Detail
CHEMBL4848849
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Basic Information
| ChEMBL ID | CHEMBL4848849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSWZUOXLFTXIEZ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
2.80
ALogP
2
HBA
1
HBD
28.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Ki 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 7.05 | 7.025 | 90.0 | 2 |
| Mushroom tyrosinase CHEMBL6066154 | Ki | 6.85 | 6.85 | 142.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | IC50 | = | 90.0 | nM | 7.05 | Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 30 min... | 39002182 |
| Mushroom tyrosinase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of mushroom tyrosinase using L-tyrosine as substrate incubated for 30... | 39002182 |
| Mushroom tyrosinase | Ki | = | 142.0 | nM | 6.85 | Binding affinity to mushroom tyrosinase using L-DOPA as substrate assessed as in... | 39002182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39002182 | 10.1016/j.bmc.2024.117832 | Mushroom tyrosinase | 7 |
| 39002182 | 10.1016/j.bmc.2024.117832 | B16-F10 | 2 |
| 39002182 | 10.1016/j.bmc.2024.117832 | No relevant target | 2 |
| 33894528 | 10.1016/j.ejmech.2021.113455 | Proteasome subunit beta type-8 | 1 |
| 39002182 | 10.1016/j.bmc.2024.117832 | HaCaT | 1 |
Data from ChEMBL 36 via Core Engine