Compound Detail
CHEMBL312627
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Basic Information
| ChEMBL ID | CHEMBL312627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAMZHALVIXXTIZ-LSWJPFSZSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
5.16
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.79
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.6
EC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL3368 | IC50 | 9.6 | 9.6 | 0.3 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.11 | 7.11 | 77.3 | 1 |
| Glucocorticoid receptor CHEMBL3368 | EC50 | 6.1 | 6.1 | 794.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 0.2512 | nM | 9.6 | Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfecte... | 34676039 |
| Glucocorticoid receptor | IC50 | = | 77.3 | nM | 7.11 | Compound was tested for inhibitory activity towards human glucocorticoid recepto... | 15115388 |
| Glucocorticoid receptor | EC50 | = | 794.33 | nM | 6.1 | Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfecte... | 34676039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34676039 | 10.1021/acsmedchemlett.1c00379 | Glucocorticoid receptor | 8 |
| 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