Compound Detail
CHEMBL5571750
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Basic Information
| ChEMBL ID | CHEMBL5571750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPQCGEJQZBKUAD-ONNFQVAWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.37
ALogP
6
HBA
1
HBD
106.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei gambiense CHEMBL613768 | EC50 | 6.5 | 6.5 | 320.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 6.21 | 6.21 | 610.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.2 | 5.2 | 6350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei gambiense | EC50 | = | 320.0 | nM | 6.5 | Antitrypanosomal activity against bloodstream forms of Trypanosoma brucei gambie... | 37984297 |
| Trypanosoma brucei rhodesiense | EC50 | = | 610.0 | nM | 6.21 | Antitrypanosomal activity against bloodstream forms of Trypanosoma brucei rhodes... | 37984297 |
| Trypanosoma brucei brucei | EC50 | = | 6350.0 | nM | 5.2 | Antitrypanosomal activity against bloodstream forms of Trypanosoma brucei brucei... | 37984297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37984297 | 10.1016/j.ejmech.2023.115954 | Trypanosoma brucei brucei | 1 |
| 37984297 | 10.1016/j.ejmech.2023.115954 | Trypanosoma brucei gambiense | 1 |
| 37984297 | 10.1016/j.ejmech.2023.115954 | Trypanosoma brucei rhodesiense | 1 |
| 37984297 | 10.1016/j.ejmech.2023.115954 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine