Compound Detail
CHEMBL3392931
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Basic Information
| ChEMBL ID | CHEMBL3392931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULGZDMOVFRHVEP-OUQSRZNGSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
733.9
MW (Da)
1.79
ALogP
14
HBA
5
HBD
193.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.0 | 5.0 | 9910.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.14 | 4.14 | 72080.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.04 | 4.04 | 92160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9910.0 | nM | 5.0 | DNDI: Malaria in Vitro, 72 hour | - |
| Trypanosoma brucei rhodesiense | IC50 | = | 72080.0 | nM | 4.14 | DNDI: HAT in Vitro, 72 hour | - |
| NON-PROTEIN TARGET | IC50 | = | 92160.0 | nM | 4.04 | DNDI: Cytotoxicity in Vitro, 72 hour, in rat skeletal myoblast cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3392926 | Leishmania donovani | 2 |
| - | 10.6019/CHEMBL3392926 | NON-PROTEIN TARGET | 2 |
| - | 10.6019/CHEMBL3392926 | Trypanosoma brucei rhodesiense | 1 |
| - | 10.6019/CHEMBL3392926 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3392926 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine