Compound Detail
CHEMBL4086428
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O=C(NO)c1ccc(OCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O.[Br-]
Basic Information
| ChEMBL ID | CHEMBL4086428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXLLWXCVSCMOBO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4117369 |
| Active Moiety | CHEMBL4117369 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
6.22
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Trypanosoma congolense CHEMBL4296607 | EC50 | 4.57 | 4.57 | 27200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 400.0 | nM | 6.4 | Anti-parasitic activity against bloodstream trypomastigote stage of wild-type Tr... | 28112515 |
| Trypanosoma congolense | EC50 | = | 27200.0 | nM | 4.57 | Anti-parasitic activity against bloodstream form of Trypanosoma congolense IL300... | 28112515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28112515 | 10.1021/acs.jmedchem.6b01740 | Unchecked | 3 |
| 28112515 | 10.1021/acs.jmedchem.6b01740 | Trypanosoma brucei brucei | 2 |
| 28112515 | 10.1021/acs.jmedchem.6b01740 | Trypanosoma congolense | 1 |
| 28112515 | 10.1021/acs.jmedchem.6b01740 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine