Compound Detail
CHEMBL2147166
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Basic Information
| ChEMBL ID | CHEMBL2147166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWGFCVWXMWMPHS-HZJYTTRNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
5.50
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 5.77 | 5.03 | 1700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of mushroom tyrosinase | 21561780 |
| Tyrosinase | IC50 | = | 51870.0 | nM | 4.29 | Inhibition of mushroom tyrosinase using as L-DOPA substrate after 2 mins by spec... | 21561780 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21561780 | 10.1016/j.bmc.2011.04.025 | Tyrosinase | 2 |
Data from ChEMBL 36 via Core Engine