Compound Detail
CHEMBL3810334
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Basic Information
| ChEMBL ID | CHEMBL3810334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNKUBDFRBLXMFB-IBGZPJMESA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
422.4
MW (Da)
2.66
ALogP
6
HBA
3
HBD
117.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.71
Ki 2 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | IC50 | 5.71 | 5.63 | 1950.0 | 2 |
| Tyrosinase CHEMBL3318 | IC50 | 5.71 | 5.38 | 1950.0 | 2 |
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Tyrosinase CHEMBL3318 | Ki | 4.76 | 4.71 | 17170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 1950.0 | nM | 5.71 | Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as ... | 27185329 |
| Tyrosinase | IC50 | = | 1950.0 | nM | 5.71 | Inhibition of tyrosinase (unknown origin) assessed as reduction in monophenolase... | 29763564 |
| Tyrosinase | IC50 | = | 2790.0 | nM | 5.55 | Inhibition of tyrosinase (unknown origin) assessed as reduction in diphenolase a... | 29763564 |
| Tyrosinase | IC50 | = | 8970.0 | nM | 5.05 | Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substr... | 27185329 |
| Mushroom tyrosinase | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of mushroom Tyrosinase | 37487307 |
| Tyrosinase | Ki | = | 17170.0 | nM | 4.76 | Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substr... | 27185329 |
| Tyrosinase | Ki | = | 22090.0 | nM | 4.66 | Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substr... | 27185329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27185329 | 10.1016/j.bmcl.2016.05.006 | Tyrosinase | 8 |
| 27185329 | 10.1016/j.bmcl.2016.05.006 | No relevant target | 5 |
| 29763564 | 10.1021/acs.jmedchem.7b00967 | Tyrosinase | 2 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Mushroom tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine