Compound Detail
CHEMBL3261416
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Cc1cc(C)c(S(=O)(=O)N[C@H](CNc2cccc3c2cnn3-c2ccc(F)cc2)C(C)C)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL3261416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBDNUMAGHBETOL-RUZDIDTESA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
5.50
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.68 | 8.02 | 2.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 2.1 | nM | 8.68 | Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition... | 24755427 |
| Glucocorticoid receptor | IC50 | = | 12.0 | nM | 7.92 | Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as ... | 24755427 |
| Glucocorticoid receptor | IC50 | = | 35.0 | nM | 7.46 | Binding affinity to human glucocorticoid receptor by fluorescence polarization a... | 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