Compound Detail
CHEMBL380646
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 | CHEMBL380646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQBRTDYULQKXOO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
436.0
MW (Da)
7.28
ALogP
3
HBA
2
HBD
32.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.66 | 6.62 | 220.0 | 2 |
| Progesterone receptor CHEMBL208 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 220.0 | nM | 6.66 | Binding affinity to human GR | 16386422 |
| Glucocorticoid receptor | IC50 | = | 260.0 | nM | 6.58 | Inhibition of Dexamethasone induced GR transactivation of MMTV luciferase in HeL... | 16386422 |
| Progesterone receptor | IC50 | = | 1400.0 | nM | 5.85 | Binding affinity to human PR | 16386422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16386422 | 10.1016/j.bmcl.2005.12.043 | Glucocorticoid receptor | 2 |
| 16386422 | 10.1016/j.bmcl.2005.12.043 | Progesterone receptor | 1 |
| 16386422 | 10.1016/j.bmcl.2005.12.043 | Estrogen receptor | 1 |
| 16386422 | 10.1016/j.bmcl.2005.12.043 | Mineralocorticoid receptor | 1 |
| 16386422 | 10.1016/j.bmcl.2005.12.043 | HFF | 1 |
Data from ChEMBL 36 via Core Engine