Compound Detail
CHEMBL3261424
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Cc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)CNc1cccc2c1cnn2-c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL3261424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYWYNENZGUSROH-KRWDZBQOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
4.87
ALogP
7
HBA
2
HBD
93.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.42 | 8.215 | 3.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 3.8 | nM | 8.42 | Binding affinity to human glucocorticoid receptor by fluorescence polarization a... | 24755427 |
| Glucocorticoid receptor | IC50 | = | 9.7 | nM | 8.01 | Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as ... | 24755427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24755427 | 10.1016/j.bmcl.2014.03.070 | Glucocorticoid receptor | 4 |
Data from ChEMBL 36 via Core Engine