Compound Detail
CHEMBL474953
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Basic Information
| ChEMBL ID | CHEMBL474953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAJPJOQCMCYGLX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
3.57
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Melan-a CHEMBL4296474 | IC50 | 5.05 | 5.05 | 8820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 900.0 | nM | 6.05 | Inhibition of mushroom tyrosinase activity after 20 mins | 19181523 |
| Melan-a | IC50 | = | 8820.0 | nM | 5.05 | Inhibition of melanin formation in C57BL/6J mouse Melan-a cells | 19181523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19181523 | 10.1016/j.bmcl.2008.12.106 | Tyrosinase | 1 |
| 19181523 | 10.1016/j.bmcl.2008.12.106 | Melan-a | 1 |
| 19181523 | 10.1016/j.bmcl.2008.12.106 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine