Compound Detail
CHEMBL5432409
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5432409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBRVHKSSAOHJOY-FYZOBXCZSA-N |
| Parent Compound | CHEMBL5499956 |
| Active Moiety | CHEMBL5499956 |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
198.2
MW (Da)
-0.96
ALogP
5
HBA
3
HBD
105.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.89
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | Ki | 4.89 | 4.89 | 12800.0 | 1 |
| Tyrosinase CHEMBL5465284 | Ki | 4.8 | 4.8 | 16000.0 | 1 |
| Tyrosinase CHEMBL1973 | Ki | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | Ki | = | 12800.0 | nM | 4.89 | Competitive inhibition of Agaricus bisporus tyrosinase using L-DOPA as substrate... | 36634457 |
| Tyrosinase | Ki | = | 16000.0 | nM | 4.8 | Competitive inhibition of Streptomyces antibioticus tyrosinase using L-DOPA as s... | 36634457 |
| Tyrosinase | Ki | = | 76000.0 | nM | 4.12 | Competitive inhibition of human recombinant tyrosinase expressed in Sf9 cells us... | 36634457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36634457 | 10.1016/j.ejmech.2023.115090 | Tyrosinase | 4 |
| 36634457 | 10.1016/j.ejmech.2023.115090 | Mushroom tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine