Compound Detail
CHEMBL410037
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O=S(=O)(c1ccc(F)cc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CN2CCCC2)C1
Basic Information
| ChEMBL ID | CHEMBL410037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYLSEWFMYDVUSK-MHZLTWQESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
4.27
ALogP
5
HBA
0
HBD
58.4
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.8 | 8.45 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]dexamethasone from human recombinant GR | 18226897 |
| Glucocorticoid receptor | Ki | = | 8.0 | nM | 8.1 | Antagonist activity at GR in SW1353/MMTV5 cells assessed as inhibition of dexame... | 18226897 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18226897 | 10.1016/j.bmcl.2008.01.027 | Glucocorticoid receptor | 2 |
Data from ChEMBL 36 via Core Engine