Compound Detail
CHEMBL5500014
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Basic Information
| ChEMBL ID | CHEMBL5500014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGJHRVKISXOVEV-LURJTMIESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
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 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
| Mushroom tyrosinase CHEMBL6066154 | Ki | 4.9 | 4.9 | 12500.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 8000.0 | nM | 5.1 | Binding affinity to human Tyrosinase using L-DOPA as substrate assessed as inhib... | 37487307 |
| Mushroom tyrosinase | Ki | = | 12500.0 | nM | 4.9 | Binding affinity to mushroom Tyrosinase using L-DOPA as substrate assessed as in... | 37487307 |
| Unchecked | Ki | = | 39000.0 | nM | 4.41 | Biniding affinity to bacterial Tyrosinase assessed as inhibition constant | 37487307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37487307 | 10.1016/j.ejmech.2023.115672 | Tyrosinase | 1 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Mushroom tyrosinase | 1 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine