Compound Detail
CHEMBL6007625
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Basic Information
| ChEMBL ID | CHEMBL6007625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFWUAHGELKIBFP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
392.3
MW (Da)
2.87
ALogP
7
HBA
0
HBD
108.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thioredoxin reductase 1, cytoplasmic CHEMBL1927 | IC50 | 8.99 | 8.99 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thioredoxin reductase 1, cytoplasmic | IC50 | = | 1.03 | nM | 8.99 | Inhibition of Recombinant TrxR1: Small molecule inhibition of recombinant thiore... | - |
Data from ChEMBL 36 via Core Engine