Compound Detail
CHEMBL612055
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Basic Information
| ChEMBL ID | CHEMBL612055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOXQYFLPDQGMDX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names
Molecular Properties
325.5
MW (Da)
5.00
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.77
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanothione reductase CHEMBL5131 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
| Trypanothione reductase CHEMBL5154 | IC50 | 4.84 | 4.84 | 14600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanothione reductase | IC50 | = | 11500.0 | nM | 4.94 | Inhibition of Trypanosoma cruzi Trypanothione reductase | 19296695 |
| Trypanothione reductase | IC50 | = | 14600.0 | nM | 4.84 | Inhibition of Trypanosoma brucei Trypanothione reductase | 19296695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19296695 | 10.1021/jm801306g | Trypanothione reductase | 2 |
Data from ChEMBL 36 via Core Engine