Compound Detail
CHEMBL1760462
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OC[C@H]1O[C@@H](Oc2ccc(CCc3ccc(O)cc3O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1760462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSCBNFCPJSAUNX-OUUBHVDSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
-0.23
ALogP
9
HBA
7
HBD
160.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 770.0 | nM | 6.11 | Inhibition of Tyrosinase | 21334791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21334791 | 10.1016/j.ejmech.2011.01.065 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine