Compound Detail
CHEMBL220023
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 | CHEMBL220023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUKSLEMXBDETTE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
4.31
ALogP
4
HBA
1
HBD
47.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 620.0 | nM | 6.21 | Inhibition of tetramethylrhodamine labeled dexamethasone binding to MR by FP ass... | 17181172 |
| Glucocorticoid receptor | IC50 | = | 650.0 | nM | 6.19 | Inhibition of tetramethylrhodamine labeled dexamethasone binding to GR by FP ass... | 17181172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17181172 | 10.1021/jm061273t | Glucocorticoid receptor | 1 |
| 17181172 | 10.1021/jm061273t | Progesterone receptor | 1 |
| 17181172 | 10.1021/jm061273t | Mineralocorticoid receptor | 1 |
| 17181172 | 10.1021/jm061273t | HFF | 1 |
Data from ChEMBL 36 via Core Engine