Compound Detail
CHEMBL1818888
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Basic Information
| ChEMBL ID | CHEMBL1818888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYMCWJAFZPCSKX-XNWCZRBMSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
-0.49
ALogP
5
HBA
3
HBD
100.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.8
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of Bacterial Tyrosinase | 37487307 |
| Mushroom tyrosinase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of mushroom Tyrosinase | 37487307 |
| Tyrosinase | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substr... | 21777998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21777998 | 10.1016/j.ejmech.2011.07.003 | Tyrosinase | 2 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Mushroom tyrosinase | 1 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Tyrosinase | 1 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine