Compound Detail
CHEMBL5399906
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Basic Information
| ChEMBL ID | CHEMBL5399906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYGLODWQUMPWFP-MLPAPPSSSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
2.42
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Ki 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | Ki | 6.26 | 6.26 | 550.0 | 1 |
| Tyrosinase CHEMBL1973 | IC50 | 5.8 | 5.8 | 1570.0 | 1 |
| MNT-1 CHEMBL5209890 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 550.0 | nM | 6.26 | Inhibition of C-terminal His-tagged truncated form of human tyrosinase (1 to 456... | 36462443 |
| Tyrosinase | IC50 | = | 1570.0 | nM | 5.8 | Inhibition of tyrosinase in human MNT-1 cell lysates using L-DOPA as substrate a... | 36462443 |
| MNT-1 | IC50 | = | 32000.0 | nM | 4.5 | 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 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Unchecked | 2 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine