Compound Detail
CHEMBL55756
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL55756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEYFSRVIHDNQHT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
235.4
MW (Da)
3.70
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanothione reductase CHEMBL1837 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
| Glutathione reductase, mitochondrial CHEMBL2755 | IC50 | 4.1 | 4.1 | 79300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanothione reductase | IC50 | = | 11800.0 | nM | 4.93 | Inhibition of TR by DTNB-coupled assay | 17197182 |
| Glutathione reductase, mitochondrial | IC50 | = | 79300.0 | nM | 4.1 | Inhibition of human GR | 17197182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9599235 | 10.1021/jm970681h | GABA-A receptor; anion channel | 1 |
| 9599235 | 10.1021/jm970681h | No relevant target | 1 |
| 17197182 | 10.1016/j.bmcl.2006.12.016 | Trypanothione reductase | 1 |
| 17197182 | 10.1016/j.bmcl.2006.12.016 | Glutathione reductase, mitochondrial | 1 |
| 17197182 | 10.1016/j.bmcl.2006.12.016 | Unchecked | 1 |
| 17197182 | 10.1016/j.bmcl.2006.12.016 | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine