Compound Detail
CHEMBL3747057
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Basic Information
| ChEMBL ID | CHEMBL3747057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLKVRTIAGSMQLN-LBPRGKRZSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
4.01
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Ki 3 meas. best 8.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | Ki | 8.83 | 7.8133 | 1.5 | 3 |
| Tyrosinase CHEMBL3318 | IC50 | 7.52 | 6.91 | 30.0 | 2 |
| B16 CHEMBL381 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 1.48 | nM | 8.83 | Time dependent inhibition of monophenolase activity of mushroom tyrosinase using... | 26706112 |
| Tyrosinase | Ki | = | 19.0 | nM | 7.72 | Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-... | 26706112 |
| Tyrosinase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as ... | 26706112 |
| Tyrosinase | Ki | = | 130.0 | nM | 6.89 | Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DO... | 26706112 |
| Tyrosinase | IC50 | = | 500.0 | nM | 6.3 | Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substr... | 26706112 |
| B16 | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of alpha-MSH-stimulated melanin production in mouse B16 cells after 7... | 26706112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26706112 | 10.1016/j.bmc.2015.11.040 | Tyrosinase | 10 |
| 26706112 | 10.1016/j.bmc.2015.11.040 | B16 | 3 |
Data from ChEMBL 36 via Core Engine