Compound Detail
CHEMBL313792
MELARSEN OXIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL313792 |
| Name | MELARSEN OXIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDKGKLBKFOIXPU-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
6
Known Names
Molecular Properties
292.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Achiral |
Activity Summary
IC50 3 meas. best 9.0
Ki 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 9.0 | 7.2333 | 1.0 | 3 |
| Trypanothione reductase CHEMBL5131 | Ki | 5.85 | 5.3 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 1.0 | nM | 9.0 | In Vitro Growth Inhibitory Value against LAB 110 Strain of Trypanosoma brucei | 11141084 |
| Trypanosoma brucei | IC50 | = | 400.0 | nM | 6.4 | In Vitro Growth Inhibitory Value against K243 Strain of Trypanosoma brucei. | 11141084 |
| Trypanosoma brucei | IC50 | = | 500.0 | nM | 6.3 | In Vitro Growth Inhibitory Value against K269 Strain of Trypanosoma brucei. | 11141084 |
| Trypanothione reductase | Ki | = | 1400.0 | nM | 5.85 | Time-dependent inhibition of Trypanosoma cruzi trypanothione reductase assessed ... | - |
| Trypanothione reductase | Ki | = | 18000.0 | nM | 4.75 | Time-dependent inhibition of Trypanosoma cruzi trypanothione reductase assessed ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11141084 | 10.1021/jm000084m | Trypanosoma brucei | 3 |
| - | 10.1039/C1MD00237F | Trypanothione reductase | 2 |
Data from ChEMBL 36 via Core Engine