Compound Detail
CHEMBL5436607
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Basic Information
| ChEMBL ID | CHEMBL5436607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMKONBIDAAUJQX-UVTDQMKNSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
3.08
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.23
IC50 1 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | Ki | 8.23 | 6.73 | 5.8 | 2 |
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 4.95 | 4.95 | 11180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | Ki | = | 5.85 | nM | 8.23 | Binding affinity to mushroom tyrosinase assessed as inhibition constant | 35717871 |
| Mushroom tyrosinase | Ki | = | 5850.0 | nM | 5.23 | Binding affinity to mushroom tyrosinase assessed as inhibition constant | 35717871 |
| Mushroom tyrosinase | IC50 | = | 11180.0 | nM | 4.95 | Inhibition of mushroom tyrosinase | 35717871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35717871 | 10.1016/j.ejmech.2022.114525 | Mushroom tyrosinase | 4 |
| 35717871 | 10.1016/j.ejmech.2022.114525 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine