Compound Detail
CHEMBL247417
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O=C1C=C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2(Cc2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL247417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRVYFNQBCFOYJP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
3.51
ALogP
5
HBA
0
HBD
97.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 3000.0 | nM | 5.52 | Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed i... | 17822897 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17822897 | 10.1016/j.bmcl.2007.07.055 | Glucocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine