Compound Detail
CHEMBL2035489
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Basic Information
| ChEMBL ID | CHEMBL2035489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZMQMEKKARSJNG-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
482.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thioredoxin reductase 1, cytoplasmic CHEMBL6035 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.79 | 5.79 | 1640.0 | 1 |
| Thioredoxin reductase CHEMBL2096978 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 5.55 | 5.55 | 2840.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 5.28 | 5.28 | 5280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thioredoxin reductase 1, cytoplasmic | IC50 | = | 130.0 | nM | 6.89 | Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by ... | 22579620 |
| NON-PROTEIN TARGET | IC50 | = | 1640.0 | nM | 5.79 | Growth inhibition of human U87MG cells after 48 hrs by MTT assay | 22579620 |
| Thioredoxin reductase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of TrxR in human U87MG cells after 12 hrs by insulin-reducing method | 22579620 |
| MIA PaCa-2 | IC50 | = | 2840.0 | nM | 5.55 | Growth inhibition of human MIAPaCa2 cells after 48 hrs by MTT assay | 22579620 |
| LoVo | IC50 | = | 5280.0 | nM | 5.28 | Growth inhibition of human LoVo cells after 48 hrs by MTT assay | 22579620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22579620 | 10.1016/j.bmc.2012.04.033 | Unchecked | 7 |
| 22579620 | 10.1016/j.bmc.2012.04.033 | Thioredoxin reductase 1, cytoplasmic | 2 |
| 22579620 | 10.1016/j.bmc.2012.04.033 | Thioredoxin reductase | 2 |
| 22579620 | 10.1016/j.bmc.2012.04.033 | NON-PROTEIN TARGET | 1 |
| 22579620 | 10.1016/j.bmc.2012.04.033 | MIA PaCa-2 | 1 |
| 22579620 | 10.1016/j.bmc.2012.04.033 | LoVo | 1 |
| 22579620 | 10.1016/j.bmc.2012.04.033 | Glutathione reductase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine