Compound Detail
CHEMBL5917158
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Basic Information
| ChEMBL ID | CHEMBL5917158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMOBUAVGNXPBRW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
1.23
ALogP
7
HBA
0
HBD
112.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thioredoxin reductase 1, cytoplasmic CHEMBL1927 | IC50 | 8.26 | 7.915 | 5.5 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.19 | 4.19 | 64190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thioredoxin reductase 1, cytoplasmic | IC50 | = | 5.5 | nM | 8.26 | Inhibition Assay: Small molecule inhibition of recombinant thioredoxin reductase... | - |
| Thioredoxin reductase 1, cytoplasmic | IC50 | = | 26.8 | nM | 7.57 | Inhibition Assay: Small molecule inhibition of recombinant thioredoxin reductase... | - |
| Unchecked | IC50 | = | 64190.0 | nM | 4.19 | Inhibition Assay: Small molecule inhibition of recombinant thioredoxin reductase... | - |
Data from ChEMBL 36 via Core Engine