Compound Detail
CHEMBL312041
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Basic Information
| ChEMBL ID | CHEMBL312041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHBCSFBTMZBWKU-CTNGQTDRSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
4.53
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.52
IC50 2 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 8.52 | 7.8 | 3.0 | 2 |
| Mus musculus CHEMBL375 | EC50 | 7.82 | 7.82 | 15.1 | 1 |
| Glucocorticoid receptor CHEMBL3368 | IC50 | 7.4 | 7.4 | 39.8 | 1 |
| Glucocorticoid receptor CHEMBL3368 | EC50 | 7.2 | 7.2 | 63.1 | 1 |
| Glutamine synthetase CHEMBL4612 | EC50 | 6.74 | 6.74 | 181.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 1.9 | nM | 8.72 | Compound was tested for inhibitory activity towards human glucocorticoid recepto... | 15115388 |
| Glucocorticoid receptor | EC50 | = | 3.0 | nM | 8.52 | Ability to induce human IL-6 assay in A549 lung carcinoma cell line. | 15115388 |
| Mus musculus | EC50 | = | 15.1 | nM | 7.82 | Ability to induce mouse macrophage IL-6 assay in peritoneal exudate cells harves... | 15115388 |
| Glucocorticoid receptor | IC50 | = | 39.81 | nM | 7.4 | Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfecte... | 34676039 |
| Glucocorticoid receptor | EC50 | = | 63.1 | nM | 7.2 | Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfecte... | 34676039 |
| Glucocorticoid receptor | EC50 | = | 83.5 | nM | 7.08 | Glucocorticoid induced transactivation of human tyrosine amino transferase in He... | 15115388 |
| Glutamine synthetase | EC50 | = | 181.6 | nM | 6.74 | Ability to induce human glutamine synthetase in skeletal muscle cells | 15115388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34676039 | 10.1021/acsmedchemlett.1c00379 | Glucocorticoid receptor | 9 |
| 15115388 | 10.1021/jm030585i | Glucocorticoid receptor | 3 |
| 15115388 | 10.1021/jm030585i | Glutamine synthetase | 1 |
| 15115388 | 10.1021/jm030585i | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine