Compound Detail
CHEMBL392501
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
Basic Information
| ChEMBL ID | CHEMBL392501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEMGULFBAZGYKI-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
423.4
MW (Da)
5.53
ALogP
3
HBA
1
HBD
53.2
PSA (Ų)
0.62
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
EC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| HFF CHEMBL614071 | EC50 | 7.4 | 7.0 | 40.0 | 2 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 8.0 | nM | 8.1 | Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in ... | 17692519 |
| HFF | EC50 | = | 40.0 | nM | 7.4 | Antiinflammatory activity assessed as inhibition of IL1 stimulated IL6 productio... | 17692519 |
| HFF | EC50 | = | 250.0 | nM | 6.6 | Antiinflammatory activity assessed as upregulation of aromatase in HFF cells by ... | 17692519 |
| Mineralocorticoid receptor | IC50 | = | 250.0 | nM | 6.6 | Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor i... | 17692519 |
| Progesterone receptor | IC50 | = | 1800.0 | nM | 5.75 | Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in in... | 17692519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17692519 | 10.1016/j.bmcl.2007.07.031 | HFF | 4 |
| 17692519 | 10.1016/j.bmcl.2007.07.031 | Glucocorticoid receptor | 1 |
| 17692519 | 10.1016/j.bmcl.2007.07.031 | Progesterone receptor | 1 |
| 17692519 | 10.1016/j.bmcl.2007.07.031 | Mineralocorticoid receptor | 1 |
| 17692519 | 10.1016/j.bmcl.2007.07.031 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine