Compound Detail
CHEMBL5557086
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Basic Information
| ChEMBL ID | CHEMBL5557086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MERSRXCXUATKOP-QVIVLVACSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
2.21
ALogP
5
HBA
4
HBD
112.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Tyrosinase CHEMBL1973 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| MNT-1 CHEMBL5209890 | IC50 | 5.34 | 5.03 | 4600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 ... | 38262119 |
| Tyrosinase | IC50 | = | 850.0 | nM | 6.07 | Inhibition of tyrosinase in human MNT-1 cells using L-DOPA as substrate preincub... | 38262119 |
| MNT-1 | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of melanogenesis in human MNT-1 cells incubated for 14 days | 38262119 |
| MNT-1 | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of melanogenesis in human MNT-1 cells incubated for 4 days | 38262119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38262119 | 10.1016/j.ejmech.2024.116165 | MNT-1 | 4 |
| 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