Compound Detail
CHEMBL5405962
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Basic Information
| ChEMBL ID | CHEMBL5405962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNARGXDTBPNHMK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
321.2
MW (Da)
3.68
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 6.96 | 6.85 | 110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of Agaricus bisporus tyrosinase using L-tyrosine as substrate preincu... | 36940414 |
| Mushroom tyrosinase | IC50 | = | 184.0 | nM | 6.74 | 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