Compound Detail
CHEMBL4758898
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Basic Information
| ChEMBL ID | CHEMBL4758898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXIIICSGGNJEQP-QQRDMOCMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
346.1
MW (Da)
-1.06
ALogP
7
HBA
4
HBD
120.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.51 | 4.51 | 30900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 20000.0 | nM | 4.7 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense | 33385837 |
| Trypanosoma brucei brucei | IC50 | = | 30900.0 | nM | 4.51 | Antitrypanosomal activity against Trypanosoma brucei brucei | 33385837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33385837 | 10.1016/j.ejmech.2020.113101 | Trypanosoma brucei brucei | 1 |
| 33385837 | 10.1016/j.ejmech.2020.113101 | Trypanosoma brucei rhodesiense | 1 |
| 33385837 | 10.1016/j.ejmech.2020.113101 | Trypanosoma cruzi | 1 |
| 33385837 | 10.1016/j.ejmech.2020.113101 | Leishmania infantum | 1 |
| 33385837 | 10.1016/j.ejmech.2020.113101 | Unchecked | 1 |
| 33385837 | 10.1016/j.ejmech.2020.113101 | Macrophage | 1 |
Data from ChEMBL 36 via Core Engine