Compound Detail
CHEMBL2041839
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[Br-].[Br-].c1ccc2c([P+](Cc3ccc(Oc4ccc(C[P+](c5cccc6ccccc56)(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3)(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1
Basic Information
| ChEMBL ID | CHEMBL2041839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSGNVSLTPYKLTM-UHFFFAOYSA-L |
| Parent Compound | CHEMBL2079078 |
| Active Moiety | CHEMBL2079078 |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1021.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.89 | 6.8467 | 128.0 | 3 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 6.42 | 6.42 | 384.0 | 1 |
| L6 CHEMBL614793 | EC50 | 5.46 | 5.46 | 3450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 128.0 | nM | 6.89 | Antitrypanosomal activity against diminazene-, pentamidine-, and melaminophenyl ... | 22390399 |
| Trypanosoma brucei brucei | EC50 | = | 140.0 | nM | 6.85 | Antitrypanosomal activity against diminazene aceturate-resistant TbAT1 gene-defi... | 22390399 |
| Trypanosoma brucei brucei | EC50 | = | 160.0 | nM | 6.8 | Antitrypanosomal activity against wild type Trypanosoma brucei brucei Lister 427... | 22390399 |
| Trypanosoma brucei rhodesiense | EC50 | = | 384.0 | nM | 6.42 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infecte... | 22390399 |
| L6 | EC50 | = | 3450.0 | nM | 5.46 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 22390399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22390399 | 10.1021/jm2014259 | Trypanosoma brucei brucei | 5 |
| 22390399 | 10.1021/jm2014259 | Unchecked | 2 |
| 22390399 | 10.1021/jm2014259 | Trypanosoma brucei rhodesiense | 1 |
| 22390399 | 10.1021/jm2014259 | L6 | 1 |
| 22390399 | 10.1021/jm2014259 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine