Compound Detail
CHEMBL247006
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CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccc(N4CCOCC4)cc3)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL247006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWPVQURQQCHAFH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
522.7
MW (Da)
4.73
ALogP
5
HBA
0
HBD
66.9
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.0 | 7.2 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed i... | 17822897 |
| Glucocorticoid receptor | Ki | = | 400.0 | nM | 6.4 | Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as... | 17822897 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17822897 | 10.1016/j.bmcl.2007.07.055 | Glucocorticoid receptor | 2 |
| 17822897 | 10.1016/j.bmcl.2007.07.055 | Steroid hormone receptor ERR1 | 1 |
| 17822897 | 10.1016/j.bmcl.2007.07.055 | Androgen receptor | 1 |
| 17822897 | 10.1016/j.bmcl.2007.07.055 | Mineralocorticoid receptor | 1 |
| 17822897 | 10.1016/j.bmcl.2007.07.055 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine