Compound Detail
CHEMBL2041827
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Cc1ccc([P+](Cc2ccc(S(=O)(=O)c3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL2041827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIQNTCJLJUXMFS-UHFFFAOYSA-L |
| Parent Compound | CHEMBL2079076 |
| Active Moiety | CHEMBL2079076 |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
853.1
MW (Da)
11.36
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 6.76 | 6.76 | 173.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.64 | 6.6033 | 230.0 | 3 |
| L6 CHEMBL614793 | EC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | EC50 | = | 173.0 | nM | 6.76 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infecte... | 22390399 |
| Trypanosoma brucei brucei | EC50 | = | 230.0 | nM | 6.64 | Antitrypanosomal activity against wild type Trypanosoma brucei brucei Lister 427... | 22390399 |
| Trypanosoma brucei brucei | EC50 | = | 253.0 | nM | 6.6 | Antitrypanosomal activity against diminazene aceturate-resistant TbAT1 gene-defi... | 22390399 |
| Trypanosoma brucei brucei | EC50 | = | 270.0 | nM | 6.57 | Antitrypanosomal activity against diminazene-, pentamidine-, and melaminophenyl ... | 22390399 |
| L6 | EC50 | = | 22000.0 | nM | 4.66 | 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