Compound Detail
CHEMBL4168732
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Basic Information
| ChEMBL ID | CHEMBL4168732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQZIZPWWWQCKJE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
344.1
MW (Da)
2.24
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.8 | 5.7933 | 1600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1600.0 | nM | 5.8 | Anti-parasitic activity against Trypanosoma cruzi | 31306817 |
| Trypanosoma cruzi | IC50 | = | 1620.0 | nM | 5.79 | Antitrypanosomal activity against bloodstream forms of Trypanosoma cruzi Y isola... | 28521262 |
| Trypanosoma cruzi | IC50 | = | 1620.0 | nM | 5.79 | Trypanocidal activity against Trypanosoma cruzi Y strain bloodstream trypomastig... | 31306817 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31306817 | 10.1016/j.ejmech.2019.06.056 | Trypanosoma cruzi | 2 |
| 28521262 | 10.1016/j.ejmech.2017.05.011 | Trypanosoma cruzi | 1 |
| 28521262 | 10.1016/j.ejmech.2017.05.011 | Unchecked | 1 |
| 28521262 | 10.1016/j.ejmech.2017.05.011 | Peritoneal macrophage | 1 |
Data from ChEMBL 36 via Core Engine