Compound Detail
CHEMBL1085994
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Basic Information
| ChEMBL ID | CHEMBL1085994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKEYANXOEJSFQJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
3.15
ALogP
6
HBA
0
HBD
37.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 5.83 | 5.83 | 1490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 1490.0 | nM | 5.83 | Inhibition of mushroom tyrosinase preincubated for 5 mins before addition of L-D... | 20493688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20493688 | 10.1016/j.bmcl.2010.04.067 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine