Compound Detail
CHEMBL233390
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Basic Information
| ChEMBL ID | CHEMBL233390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEGTZPFCUQUJQF-PUHATCMVSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
5.55
ALogP
4
HBA
1
HBD
38.0
PSA (Ų)
0.63
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.0
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | EC50 | 9.0 | 8.32 | 1.0 | 2 |
| Glucocorticoid receptor CHEMBL3368 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
| Glucocorticoid receptor CHEMBL3368 | EC50 | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | EC50 | = | 1.0 | nM | 9.0 | Activity at human glucocorticoid receptor in human A549 cells assessed as repres... | 17467988 |
| Glucocorticoid receptor | IC50 | = | 5.012 | nM | 8.3 | Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfecte... | 34676039 |
| Unchecked | IC50 | = | 5.1 | nM | 8.29 | Displacement of [3H]dexamethasone from human glucocorticoid receptor alpha | 17467988 |
| Glucocorticoid receptor | EC50 | = | 23.0 | nM | 7.64 | Activity at human glucocorticoid receptor in C57BI/6 mouse peritoneal exudate ce... | 17467988 |
| Glucocorticoid receptor | EC50 | = | 125.89 | nM | 6.9 | Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfecte... | 34676039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17467988 | 10.1016/j.bmcl.2007.03.103 | Glucocorticoid receptor | 8 |
| 34676039 | 10.1021/acsmedchemlett.1c00379 | Glucocorticoid receptor | 8 |
| 17467988 | 10.1016/j.bmcl.2007.03.103 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine