Compound Detail
CHEMBL5395264
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Basic Information
| ChEMBL ID | CHEMBL5395264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUSMTINPXLXYNU-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
476.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 6.7 | 6.18 | 200.0 | 2 |
| Thioredoxin reductase CHEMBL3638339 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| H22 CHEMBL614998 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 200.0 | nM | 6.7 | Negative allosteric modulator activity at human wildtype KGA incubated for 5 hrs... | 37465295 |
| Thioredoxin reductase | IC50 | = | 500.0 | nM | 6.3 | Negative allosteric modulator activity at Escherichia coli TrxR using DTNB as su... | 37465295 |
| A549 | IC50 | = | 750.0 | nM | 6.12 | Antiproliferative activity against human A549 cells assessed as cell growth inhi... | 37465295 |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 2200.0 | nM | 5.66 | Negative allosteric modulator activity at human wildtype KGA using glutamine as ... | 37465295 |
| H22 | IC50 | = | 3500.0 | nM | 5.46 | 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 | 3 |
| 37465295 | 10.1021/acsmedchemlett.2c00470 | Glutaminase kidney isoform, mitochondrial | 3 |
| 37465295 | 10.1021/acsmedchemlett.2c00470 | H22 | 3 |
| 37465295 | 10.1021/acsmedchemlett.2c00470 | ADMET | 2 |
| 37465295 | 10.1021/acsmedchemlett.2c00470 | Thioredoxin reductase | 1 |
| 37465295 | 10.1021/acsmedchemlett.2c00470 | A549 | 1 |
Data from ChEMBL 36 via Core Engine