Compound Detail
CHEMBL3703578
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C=C(COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)C(=O)NC(CC(C)C)C(=O)NCC(=O)OCC
Basic Information
| ChEMBL ID | CHEMBL3703578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIBIRGYHHYAZIQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
540.5
MW (Da)
3.65
ALogP
6
HBA
2
HBD
110.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thioredoxin reductase 1, cytoplasmic CHEMBL1927 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thioredoxin reductase 1, cytoplasmic | IC50 | = | 3200.0 | nM | 5.5 | In vitro Assay: The method of determining thioredoxin activity is based on the r... | - |
Data from ChEMBL 36 via Core Engine