Compound Detail
CHEMBL5424468
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Basic Information
| ChEMBL ID | CHEMBL5424468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PODFUPVDOSBPHJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
3.35
ALogP
8
HBA
2
HBD
98.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 8.0 | 7.9 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 ... | 37482020 |
| Mushroom tyrosinase | IC50 | = | 16.0 | nM | 7.8 | Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 ... | 35717871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35717871 | 10.1016/j.ejmech.2022.114525 | Mushroom tyrosinase | 1 |
| 37482020 | 10.1016/j.ejmech.2023.115655 | Mushroom tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine