Compound Detail
CHEMBL3392934
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Basic Information
| ChEMBL ID | CHEMBL3392934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQPFGLOLUUUBIH-VAWYXSNFSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
2.09
ALogP
7
HBA
0
HBD
115.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.84 | 5.84 | 1440.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.56 | 5.12 | 2760.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.8 | 4.43 | 15700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 190.0 | nM | 6.72 | DNDI: Chagas in Vitro, 96 hour | - |
| Trypanosoma brucei rhodesiense | IC50 | = | 1440.0 | nM | 5.84 | DNDI: HAT in Vitro, 72 hour | - |
| Leishmania donovani | IC50 | = | 2760.0 | nM | 5.56 | DNDI: Leish (axenic) in Vitro, 72 hour | - |
| NON-PROTEIN TARGET | IC50 | = | 15700.0 | nM | 4.8 | DNDI: Cytotoxicity in Vitro, 96 hour, in primary peritoneal mouse macrophages | - |
| Leishmania donovani | IC50 | = | 20680.0 | nM | 4.68 | DNDI: Leish (macro) in Vitro, 96 hour | - |
| NON-PROTEIN TARGET | IC50 | = | 87020.0 | nM | 4.06 | DNDI: Cytotoxicity in Vitro, 72 hour, in rat skeletal myoblast cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3392926 | NON-PROTEIN TARGET | 3 |
| - | 10.6019/CHEMBL3392926 | Leishmania donovani | 2 |
| - | 10.6019/CHEMBL3392926 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3392926 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine