Compound Detail
CHEMBL5439545
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Basic Information
| ChEMBL ID | CHEMBL5439545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKBDZQZRGXGSKA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
3.22
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 6.88 | 6.8 | 133.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | IC50 | = | 133.0 | nM | 6.88 | Inhibition of Agaricus bisporus tyrosinase using L-tyrosine as substrate preincu... | 36940414 |
| Mushroom tyrosinase | IC50 | = | 189.0 | nM | 6.72 | Inhibition of Agaricus bisporus tyrosinase using L-dopa as substrate preincubate... | 36940414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36940414 | 10.1021/acs.jmedchem.3c00012 | Mushroom tyrosinase | 2 |
| 36940414 | 10.1021/acs.jmedchem.3c00012 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine