Compound Detail
CHEMBL1087324
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O=C(/C=C/c1ccc(O)cc1)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL1087324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQIGNJDEMJBAFL-LZWSPWQCSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
4.00
ALogP
6
HBA
2
HBD
126.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Ki 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | Ki | 4.94 | 4.94 | 11400.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 11400.0 | nM | 4.94 | Competitive inhibition of monophenolase activity of mushroom tyrosinase using as... | 20149498 |
| Tyrosinase | IC50 | = | 15200.0 | nM | 4.82 | Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine ... | 20149498 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20149498 | 10.1016/j.ejmech.2010.01.049 | Tyrosinase | 3 |
Data from ChEMBL 36 via Core Engine