Compound Detail
CHEMBL3322286
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Basic Information
| ChEMBL ID | CHEMBL3322286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZSBRNLTYOICGP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.3
MW (Da)
-0.32
ALogP
7
HBA
0
HBD
119.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thioredoxin glutathione reductase CHEMBL6110 | IC50 | 6.83 | 6.83 | 148.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thioredoxin glutathione reductase | IC50 | = | 148.0 | nM | 6.83 | Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase ... | 25016371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25016371 | 10.1016/j.ejmech.2014.07.007 | Schistosoma mansoni | 4 |
| 25016371 | 10.1016/j.ejmech.2014.07.007 | Thioredoxin glutathione reductase | 1 |
| 25016371 | 10.1016/j.ejmech.2014.07.007 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine