Compound Detail
CHEMBL489989
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Oc1ccc(CCc2ccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL489989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKPLFXIZRJUMEW-IPEFDXMUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.5
MW (Da)
-1.48
ALogP
12
HBA
8
HBD
198.8
PSA (Ų)
0.22
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 730.0 | nM | 6.14 | Inhibition of mushroom tyrosinase | 18782667 |
| Tyrosinase | IC50 | = | 730.0 | nM | 6.14 | Inhibition of Tyrosinase | 21334791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18782667 | 10.1016/j.bmcl.2008.08.053 | Tyrosinase | 1 |
| 21334791 | 10.1016/j.ejmech.2011.01.065 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine