Compound Detail
CHEMBL221686
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
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)cc3)C[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL221686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAYLSAHITBROEB-WKWWZUSTSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
5.35
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.66
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 10.02 | 10.02 | 0.1 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 9.05 | 8.585 | 0.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 0.095 | nM | 10.02 | Antagonist activity at progesterone receptor in human T47D cells assessed as inh... | 19216549 |
| Glucocorticoid receptor | IC50 | = | 0.9 | nM | 9.05 | Binding affinity to human GR | 16987661 |
| Glucocorticoid receptor | IC50 | = | 7.6 | nM | 8.12 | Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stim... | 16987661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16987661 | 10.1016/j.bmcl.2006.08.133 | Glucocorticoid receptor | 2 |
| 19216549 | 10.1021/jm800985z | Progesterone receptor | 2 |
Data from ChEMBL 36 via Core Engine