Compound Detail
CHEMBL3431059
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Basic Information
| ChEMBL ID | CHEMBL3431059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARBZLRCLVZYNEO-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
2.17
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
EC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.51 | 6.51 | 310.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.3 | 6.2 | 501.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 310.0 | nM | 6.51 | Antitrypanosomal activity against Trypanosoma brucei brucei BSF427 VSG118 bloods... | 26418485 |
| Trypanosoma brucei brucei | IC50 | = | 501.19 | nM | 6.3 | GSK_TCAKS: pIC50 Trypanosoma brucei viability assay using fluorescence intensity... | - |
| Trypanosoma brucei brucei | IC50 | = | 794.33 | nM | 6.1 | GSK_TCAKS: pIC50 Trypanosoma brucei viability assay using luminiscence. Assay pl... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3430912 | Trypanosoma cruzi | 4 |
| - | 10.6019/CHEMBL3430912 | Leishmania donovani | 4 |
| - | 10.6019/CHEMBL3430912 | Trypanosoma brucei brucei | 2 |
| - | 10.6019/CHEMBL3430912 | HepG2 | 1 |
| - | 10.6019/CHEMBL3430912 | Sterol 14-alpha demethylase | 1 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | Trypanosoma brucei brucei | 1 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine