Compound Detail
CHEMBL3746218
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Basic Information
| ChEMBL ID | CHEMBL3746218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHDOCZYXDGGPOQ-VIZOYTHASA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
4.21
ALogP
7
HBA
5
HBD
127.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.74
Ki 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | Ki | 5.12 | 4.605 | 7500.0 | 2 |
| Tyrosinase CHEMBL3318 | IC50 | 4.74 | 4.74 | 18400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 7500.0 | nM | 5.12 | Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-... | 26706112 |
| Tyrosinase | IC50 | = | 18400.0 | nM | 4.74 | Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as ... | 26706112 |
| Tyrosinase | Ki | = | 81400.0 | nM | 4.09 | Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DO... | 26706112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26706112 | 10.1016/j.bmc.2015.11.040 | Tyrosinase | 6 |
Data from ChEMBL 36 via Core Engine