Compound Detail
CHEMBL2011800
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Basic Information
| ChEMBL ID | CHEMBL2011800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZAJLDVRKVEVKU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.50
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| B16 CHEMBL381 | IC50 | 5.85 | 5.85 | 1399.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of mushroom tyrosinase | 22300660 |
| B16 | IC50 | = | 1399.59 | nM | 5.85 | Antimelanogenic activity in mouse B16 cells after 4 days by spectrophotometry | 24360555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22300660 | 10.1016/j.bmcl.2011.12.144 | B16 | 3 |
| 22300660 | 10.1016/j.bmcl.2011.12.144 | Tyrosinase | 1 |
| 24360555 | 10.1016/j.bmcl.2013.11.056 | B16 | 1 |
Data from ChEMBL 36 via Core Engine