Compound Detail
CHEMBL391874
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Cc1c(S(=O)(=O)NCC(O)(CC2(C)CCCc3ccccc32)C(F)(F)F)cnn1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL391874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUZUBZUZHSEFBR-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
4.44
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.52 | 7.116 | 30.2 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 30.2 | nM | 7.52 | Binding affinity to glucocorticoid receptor | 17616395 |
| Glucocorticoid receptor | IC50 | = | 34.67 | nM | 7.46 | Binding affinity to glucocorticoid receptor | 17616395 |
| Glucocorticoid receptor | IC50 | = | 51.29 | nM | 7.29 | Binding affinity to glucocorticoid receptor | 17616395 |
| Glucocorticoid receptor | IC50 | = | 158.49 | nM | 6.8 | Binding affinity to glucocorticoid receptor | 17616395 |
| Glucocorticoid receptor | IC50 | = | 309.03 | nM | 6.51 | Antagonist activity at glucocorticoid receptor in human A549 cells transfected w... | 17616395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17616395 | 10.1016/j.bmcl.2007.06.066 | Glucocorticoid receptor | 22 |
Data from ChEMBL 36 via Core Engine