Compound Detail
CHEMBL1824793
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Basic Information
| ChEMBL ID | CHEMBL1824793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOJZBJAFCSWMKC-VIFPVBQESA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
296.2
MW (Da)
0.64
ALogP
5
HBA
3
HBD
146.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Ki 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutathione reductase, mitochondrial CHEMBL2755 | Ki | 6.68 | 6.68 | 211.0 | 1 |
| Glutathione reductase, mitochondrial CHEMBL2755 | IC50 | 6.46 | 6.46 | 344.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutathione reductase, mitochondrial | Ki | = | 211.0 | nM | 6.68 | Competitive inhibition of human erythrocyte Glutathione reductase using GSSG sub... | 21795044 |
| Glutathione reductase, mitochondrial | IC50 | = | 344.0 | nM | 6.46 | Inhibition of human erythrocyte Glutathione reductase | 21795044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21795044 | 10.1016/j.bmcl.2011.07.002 | Glutathione reductase, mitochondrial | 2 |
Data from ChEMBL 36 via Core Engine