Compound Detail
CHEMBL601706
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CCCC[P+](CCCC)(CCCC)Cc1ccc(C(=O)c2ccc(C[P+](CCCC)(CCCC)CCCC)cc2)cc1.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL601706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SURVURGDQUIZNC-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1198339 |
| Active Moiety | CHEMBL1198339 |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
612.9
MW (Da)
12.75
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.09
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 6.45 | 6.45 | 355.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.32 | 5.9967 | 480.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | EC50 | = | 355.0 | nM | 6.45 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infecte... | 22390399 |
| Trypanosoma brucei brucei | EC50 | = | 480.0 | nM | 6.32 | Antitrypanosomal activity against wild type Trypanosoma brucei brucei Lister 427... | 22390399 |
| Trypanosoma brucei brucei | EC50 | = | 1320.0 | nM | 5.88 | Antitrypanosomal activity against diminazene aceturate-resistant TbAT1 gene-defi... | 22390399 |
| Trypanosoma brucei brucei | EC50 | = | 1630.0 | nM | 5.79 | Antitrypanosomal activity against diminazene-, pentamidine-, and melaminophenyl ... | 22390399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22390399 | 10.1021/jm2014259 | Trypanosoma brucei brucei | 5 |
| 22390399 | 10.1021/jm2014259 | Unchecked | 2 |
| 20128602 | 10.1021/jm901677h | Leishmania donovani | 1 |
| 20128602 | 10.1021/jm901677h | Leishmania pifanoi | 1 |
| 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