Compound Detail
CHEMBL3261420
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
Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CCc2cccc3c2cnn3-c2ccc(F)cc2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL3261420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAWBCIJNUIGZPQ-FQEVSTJZSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
5.39
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.34 | 7.9667 | 4.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 4.6 | nM | 8.34 | Binding affinity to human glucocorticoid receptor by fluorescence polarization a... | 24755427 |
| Glucocorticoid receptor | IC50 | = | 12.0 | nM | 7.92 | Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition... | 24755427 |
| Glucocorticoid receptor | IC50 | = | 23.0 | nM | 7.64 | 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 | 5 |
Data from ChEMBL 36 via Core Engine