Compound Detail
CHEMBL3342754
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Basic Information
| ChEMBL ID | CHEMBL3342754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQSYQDSEMQWNAW-DLBZAZTESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
4.54
ALogP
5
HBA
0
HBD
49.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| L6 CHEMBL614793 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.34 | 4.34 | 45800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 40.0 | nM | 7.4 | Antitrypanosomal activity against LacZ expressing Trypanosoma cruzi Tuluhaen C2C... | 25314007 |
| L6 | IC50 | = | 70.0 | nM | 7.16 | Cytotoxicity against rat L6 cells | 25314007 |
| Trypanosoma brucei rhodesiense | IC50 | = | 45800.0 | nM | 4.34 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 trypoma... | 25314007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25314007 | 10.1021/np5006554 | Trypanosoma brucei rhodesiense | 1 |
| 25314007 | 10.1021/np5006554 | Trypanosoma brucei brucei | 1 |
| 25314007 | 10.1021/np5006554 | Trypanosoma cruzi | 1 |
| 25314007 | 10.1021/np5006554 | L6 | 1 |
| 25314007 | 10.1021/np5006554 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine