Compound Detail
CHEMBL4858362
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Basic Information
| ChEMBL ID | CHEMBL4858362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRWZQPFHFHOHGP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
303.7
MW (Da)
0.96
ALogP
7
HBA
1
HBD
85.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thioredoxin glutathione reductase CHEMBL6110 | IC50 | 5.55 | 5.55 | 2840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thioredoxin glutathione reductase | IC50 | = | 2840.0 | nM | 5.55 | Inhibition of Schistosoma mansoni thioredoxin glutathione reductase incubated fo... | 33479649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479649 | 10.1039/D0MD00062K | Schistosoma mansoni | 3 |
| 33479649 | 10.1039/D0MD00062K | Thioredoxin glutathione reductase | 1 |
| 33479649 | 10.1039/D0MD00062K | Schistosoma japonicum | 1 |
| 33479649 | 10.1039/D0MD00062K | Schistosoma haematobium | 1 |
Data from ChEMBL 36 via Core Engine