Compound Detail
CHEMBL1087322
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Basic Information
| ChEMBL ID | CHEMBL1087322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJSVUASMASROSS-OVCLIPMQSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
4.09
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.65
Ki 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | Ki | 4.88 | 4.88 | 13300.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 4.65 | 4.65 | 22500.0 | 1 |
| B16 CHEMBL381 | IC50 | 4.62 | 4.62 | 24200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 13300.0 | nM | 4.88 | Competitive inhibition of monophenolase activity of mushroom tyrosinase using as... | 20149498 |
| Tyrosinase | IC50 | = | 22500.0 | nM | 4.65 | Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine ... | 20149498 |
| B16 | IC50 | = | 24200.0 | nM | 4.62 | Inhibition of alpha-MSH-induced melanin production in mouse B16 cells after 48 h... | 20149498 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20149498 | 10.1016/j.ejmech.2010.01.049 | Tyrosinase | 3 |
| 20149498 | 10.1016/j.ejmech.2010.01.049 | B16 | 1 |
| 27592395 | 10.1016/j.ejmech.2016.08.042 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine