Compound Detail
CHEMBL4856223
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Basic Information
| ChEMBL ID | CHEMBL4856223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCPPEZLKPXRXFD-QYVSTXNMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
0.16
ALogP
7
HBA
3
HBD
106.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 4.69 | 4.69 | 20500.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 4.67 | 4.67 | 21300.0 | 1 |
| MRC5 CHEMBL614181 | EC50 | 4.39 | 4.39 | 40300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 20500.0 | nM | 4.69 | Antitrypanosomal activity against Trypanosoma brucei brucei assessed as parasite... | 33667845 |
| Trypanosoma brucei rhodesiense | EC50 | = | 21300.0 | nM | 4.67 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense assessed as par... | 33667845 |
| MRC5 | EC50 | = | 40300.0 | nM | 4.39 | Cytotoxicity against human MRC5 cells assessed as reduction in cell viability af... | 33667845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33667845 | 10.1016/j.ejmech.2021.113290 | ADMET | 3 |
| 33667845 | 10.1016/j.ejmech.2021.113290 | Trypanosoma brucei brucei | 1 |
| 33667845 | 10.1016/j.ejmech.2021.113290 | Macrophage | 1 |
| 33667845 | 10.1016/j.ejmech.2021.113290 | Leishmania infantum | 1 |
| 33667845 | 10.1016/j.ejmech.2021.113290 | MRC5 | 1 |
| 33667845 | 10.1016/j.ejmech.2021.113290 | Trypanosoma cruzi | 1 |
| 33667845 | 10.1016/j.ejmech.2021.113290 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine