Compound Detail
CHEMBL5749180
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Basic Information
| ChEMBL ID | CHEMBL5749180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXPABJZGLIYCTO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
312.7
MW (Da)
2.82
ALogP
5
HBA
0
HBD
88.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thioredoxin reductase 1, cytoplasmic CHEMBL1927 | IC50 | 8.5 | 8.5 | 3.2 | 1 |
| Glutathione reductase, mitochondrial CHEMBL2755 | IC50 | 4.38 | 4.38 | 41320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thioredoxin reductase 1, cytoplasmic | IC50 | = | 3.16 | nM | 8.5 | Inhibition of Recombinant TrxR1 and GR: Small molecule inhibition of recombinant... | - |
| Glutathione reductase, mitochondrial | IC50 | = | 41320.0 | nM | 4.38 | Inhibition of Recombinant TrxR1 and GR: Small molecule inhibition of recombinant... | - |
Data from ChEMBL 36 via Core Engine