Compound Detail
CHEMBL3398188
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Basic Information
| ChEMBL ID | CHEMBL3398188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQUJESQKTMSUCO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
323.5
MW (Da)
2.87
ALogP
3
HBA
2
HBD
55.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanothione reductase CHEMBL5131 | Ki | 5.12 | 5.12 | 7620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanothione reductase | Ki | = | 7620.0 | nM | 5.12 | Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of... | 25661449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine