Compound Detail
CHEMBL1824792
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Basic Information
| ChEMBL ID | CHEMBL1824792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULCNJCXXUJYDEK-SNVBAGLBSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
1.46
ALogP
4
HBA
2
HBD
75.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.88
Ki 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutathione reductase, mitochondrial CHEMBL2755 | Ki | 5.34 | 5.34 | 4570.0 | 1 |
| Glutathione reductase, mitochondrial CHEMBL2755 | IC50 | 4.88 | 4.88 | 13300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutathione reductase, mitochondrial | Ki | = | 4570.0 | nM | 5.34 | Competitive inhibition of human erythrocyte Glutathione reductase using GSSG sub... | 21795044 |
| Glutathione reductase, mitochondrial | IC50 | = | 13300.0 | nM | 4.88 | 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