Compound Detail
CHEMBL5408197
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Basic Information
| ChEMBL ID | CHEMBL5408197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXTXSXXNWUNVNR-UXBLZVDNSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.63
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.05
Ki 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Tyrosinase CHEMBL1973 | Ki | 6.6 | 6.6 | 250.0 | 3 |
| Tyrosinase CHEMBL1973 | IC50 | 5.8 | 5.8 | 1600.0 | 2 |
| MNT-1 CHEMBL5209890 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | IC50 | = | 90.0 | nM | 7.05 | Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 ... | 38262119 |
| Tyrosinase | Ki | = | 250.0 | nM | 6.6 | Inhibition of C-terminal His-tagged truncated form of human tyrosinase (1 to 456... | 36462443 |
| Tyrosinase | Ki | = | 250.0 | nM | 6.6 | Binding affinity to His-tagged human tyrosinase expressed in HEK293 cells assess... | 38262119 |
| Tyrosinase | Ki | = | 250.0 | nM | 6.6 | Inhibition of human tyrosinase | 37657271 |
| Tyrosinase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of tyrosinase in human MNT-1 cell lysates using L-DOPA as substrate a... | 36462443 |
| Tyrosinase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of tyrosinase in human MNT-1 cells | 37657271 |
| MNT-1 | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of melanogenesis in human MNT-1 cells incubated for 96 hrs | 36462443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36462443 | 10.1016/j.ejmech.2022.114972 | Tyrosinase | 5 |
| 36462443 | 10.1016/j.ejmech.2022.114972 | MNT-1 | 2 |
| 37657271 | 10.1016/j.ejmech.2023.115771 | Tyrosinase | 2 |
| 38262119 | 10.1016/j.ejmech.2024.116165 | Mushroom tyrosinase | 1 |
| 38262119 | 10.1016/j.ejmech.2024.116165 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine