Compound Detail
CHEMBL516894
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Basic Information
| ChEMBL ID | CHEMBL516894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIABRVJCBIGXDD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
1.45
ALogP
8
HBA
0
HBD
104.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thioredoxin reductase CHEMBL3879846 | Ki | 5.54 | 5.54 | 2880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thioredoxin reductase | Ki | = | 2880.0 | nM | 5.54 | Inhibition of Entamoeba histolytica thioredoxin reductase | 27597415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19195884 | 10.1016/j.bmcl.2009.01.037 | Escherichia coli | 1 |
| 19195884 | 10.1016/j.bmcl.2009.01.037 | Pseudomonas aeruginosa | 1 |
| 19195884 | 10.1016/j.bmcl.2009.01.037 | Staphylococcus aureus | 1 |
| 19195884 | 10.1016/j.bmcl.2009.01.037 | Staphylococcus epidermidis | 1 |
| 19195884 | 10.1016/j.bmcl.2009.01.037 | Candida albicans | 1 |
| 19195884 | 10.1016/j.bmcl.2009.01.037 | Nakaseomyces glabratus | 1 |
| 19195884 | 10.1016/j.bmcl.2009.01.037 | Geotrichum candidum | 1 |
| 27597415 | 10.1016/j.ejmech.2016.08.053 | Thioredoxin reductase | 1 |
Data from ChEMBL 36 via Core Engine