Compound Detail
CHEMBL3329471
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Basic Information
| ChEMBL ID | CHEMBL3329471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIKQCWKUXPAUPG-SDNWHVSQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
235.4
MW (Da)
2.41
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL5346 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of tyrosinase in mouse B16 cells using L-DOPA as substrate preincubat... | 31015905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25072876 | 10.1016/j.ejmech.2014.07.092 | Trypanosoma cruzi | 1 |
| 31015905 | 10.1039/C9MD00005D | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine