Compound Detail
CHEMBL5397149
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=[N+]([O-])c1ccc2c(cnn2CC[Se][Se]CCn2ncc3cc([N+](=O)[O-])ccc32)c1
Basic Information
| ChEMBL ID | CHEMBL5397149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXELBFRJPDJJSU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
538.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Thioredoxin reductase CHEMBL3638339 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| H22 CHEMBL614998 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 400.0 | nM | 6.4 | Negative allosteric modulator activity at human wildtype KGA incubated for 5 hrs... | 37465295 |
| A549 | IC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human A549 cells assessed as cell growth inhi... | 37465295 |
| Thioredoxin reductase | IC50 | = | 700.0 | nM | 6.16 | Negative allosteric modulator activity at Escherichia coli TrxR using DTNB as su... | 37465295 |
| H22 | IC50 | = | 8000.0 | nM | 5.1 | Antiproliferative activity against mouse H22 cells assessed as cell growth inhib... | 37465295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37465295 | 10.1021/acsmedchemlett.2c00470 | Unchecked | 1 |
| 37465295 | 10.1021/acsmedchemlett.2c00470 | Glutaminase kidney isoform, mitochondrial | 1 |
| 37465295 | 10.1021/acsmedchemlett.2c00470 | Thioredoxin reductase | 1 |
| 37465295 | 10.1021/acsmedchemlett.2c00470 | H22 | 1 |
| 37465295 | 10.1021/acsmedchemlett.2c00470 | A549 | 1 |
Data from ChEMBL 36 via Core Engine