Compound Detail
CHEMBL3398186
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 | CHEMBL3398186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZQIUKYXFDLEMN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.42
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.86
Ki 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.86 | 5.86 | 1380.0 | 1 |
| Trypanothione reductase CHEMBL5131 | Ki | 4.09 | 4.09 | 81600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 1380.0 | nM | 5.86 | Trypanocidal activity against drug-sensitive Trypanosoma brucei brucei Lab 110 E... | 25661449 |
| Trypanothione reductase | Ki | = | 81600.0 | nM | 4.09 | 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