Compound Detail
CHEMBL332939
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Basic Information
| ChEMBL ID | CHEMBL332939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZULGHYJEDZFMY-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
3.03
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.78
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.78 | 5.78 | 1680.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 1680.0 | nM | 5.78 | Trypanocidal activity against drug-sensitive Trypanosoma brucei brucei Lab 110 E... | 25661449 |
| Trypanosoma brucei rhodesiense | IC50 | = | 2000.0 | nM | 5.7 | Trypanocidal activity against clinical isolate Trypanosoma brucei rhodesiense KE... | 25661449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7265119 | 10.1021/jm00135a018 | Mus musculus | 7 |
| 25661449 | 10.1016/j.bmc.2015.01.018 | Trypanothione reductase | 1 |
| 25661449 | 10.1016/j.bmc.2015.01.018 | Trypanosoma brucei brucei | 1 |
| 25661449 | 10.1016/j.bmc.2015.01.018 | Trypanosoma brucei rhodesiense | 1 |
| 25661449 | 10.1016/j.bmc.2015.01.018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine