Compound Detail
CHEMBL4168996
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Basic Information
| ChEMBL ID | CHEMBL4168996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIVXUZQCOOKXND-CPNJWEJPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
335.5
MW (Da)
2.91
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.24
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 5.23 | 5.23 | 5901.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 5901.0 | nM | 5.23 | Inhibition of mushroom tyrosinase diphenolase activity assessed as decrease in d... | 28865277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28865277 | 10.1016/j.ejmech.2017.08.033 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine