Compound Detail
CHEMBL395161
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Basic Information
| ChEMBL ID | CHEMBL395161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRMAUFNDSGIVPL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
2.53
ALogP
5
HBA
2
HBD
57.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of Trypanosoma brucei rhodesiense trypanothione reductase | 17194585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17194585 | 10.1016/j.bmcl.2006.11.090 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine