Compound Detail
CHEMBL4441954
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Basic Information
| ChEMBL ID | CHEMBL4441954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPSRVMWBEQPSRD-RRYROPAKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
3.20
ALogP
6
HBA
2
HBD
105.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | IC50 | 5.32 | 5.32 | 4770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 4770.0 | nM | 5.32 | Inhibition of tyrosinase (unknown origin) | 29763564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29763564 | 10.1021/acs.jmedchem.7b00967 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine