Compound Detail
CHEMBL5274383
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Basic Information
| ChEMBL ID | CHEMBL5274383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBDZAUOXRXNMMO-XYOKQWHBSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
2.92
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.47
Ki 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 7.47 | 6.3967 | 34.0 | 3 |
| Tyrosinase CHEMBL3318 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
| Tyrosinase CHEMBL1973 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 34.0 | nM | 7.47 | Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 30 min... | 36126323 |
| Tyrosinase | IC50 | = | 1390.0 | nM | 5.86 | Inhibition of mushroom tyrosinase using L-tyrosine as substrate incubated for 30... | 36126323 |
| Tyrosinase | IC50 | = | 1390.0 | nM | 5.86 | Inhibition of mushroom tyrosinase using L-dopa as substrate incubated for 30 min... | 34365131 |
| Tyrosinase | Ki | = | 2400.0 | nM | 5.62 | Inhibition of mushroom tyrosinase using L-dopa as substrate assessed as inhibiti... | 34365131 |
| Tyrosinase | IC50 | = | 5800.0 | nM | 5.24 | Inhibition of tyrosinase in human MNT-1 cell lysates using L-DOPA as substrate a... | 36462443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36126323 | 10.1021/acs.jmedchem.2c01150 | Tyrosinase | 2 |
| 34365131 | 10.1016/j.ejmech.2021.113744 | Tyrosinase | 2 |
| 36462443 | 10.1016/j.ejmech.2022.114972 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine