Compound Detail
CHEMBL5434151
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Basic Information
| ChEMBL ID | CHEMBL5434151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMGKZTPAZDLMRT-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
141.1
MW (Da)
-0.42
ALogP
4
HBA
2
HBD
62.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.92
IC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | Ki | 5.92 | 5.92 | 1200.0 | 2 |
| Tyrosinase CHEMBL5465284 | Ki | 5.39 | 5.39 | 4100.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.39 | 5.39 | 4100.0 | 1 |
| Tyrosinase CHEMBL1973 | Ki | 5.12 | 5.12 | 7500.0 | 2 |
| Tyrosinase CHEMBL5346 | IC50 | 4.21 | 4.21 | 61250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | Ki | = | 1200.0 | nM | 5.92 | Competitive inhibition of Agaricus bisporus tyrosinase using L-DOPA as substrate... | 36634457 |
| Mushroom tyrosinase | Ki | = | 1200.0 | nM | 5.92 | Binding affinity to mushroom Tyrosinase using L-DOPA as substrate assessed as in... | 37487307 |
| Tyrosinase | Ki | = | 4100.0 | nM | 5.39 | Competitive inhibition of Streptomyces antibioticus tyrosinase using L-DOPA as s... | 36634457 |
| Unchecked | Ki | = | 4100.0 | nM | 5.39 | Biniding affinity to bacterial Tyrosinase assessed as inhibition constant | 37487307 |
| Tyrosinase | Ki | = | 7500.0 | nM | 5.12 | Competitive inhibition of human recombinant tyrosinase expressed in Sf9 cells us... | 36634457 |
| Tyrosinase | Ki | = | 7500.0 | nM | 5.12 | Binding affinity to human Tyrosinase using L-DOPA as substrate assessed as inhib... | 37487307 |
| Tyrosinase | IC50 | = | 61250.0 | nM | 4.21 | Inhibition of tyrosinase in mouse B16-F10 cells assessed as inhibition of melani... | 36634457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36634457 | 10.1016/j.ejmech.2023.115090 | Tyrosinase | 3 |
| 36634457 | 10.1016/j.ejmech.2023.115090 | Mushroom tyrosinase | 1 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Tyrosinase | 1 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Mushroom tyrosinase | 1 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine