Compound Detail
CHEMBL2315297
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Basic Information
| ChEMBL ID | CHEMBL2315297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGVIBOJVIZGZCC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
316.9
MW (Da)
5.43
ALogP
3
HBA
1
HBD
28.7
PSA (Ų)
0.77
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thioredoxin CHEMBL2010624 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thioredoxin | IC50 | = | 170.0 | nM | 6.77 | Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in... | 23327656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23327656 | 10.1021/jm301775s | Thioredoxin | 3 |
Data from ChEMBL 36 via Core Engine