Compound Detail
CHEMBL394168
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Basic Information
| ChEMBL ID | CHEMBL394168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDHOUXJDBGOXKP-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
486.5
MW (Da)
4.55
ALogP
5
HBA
3
HBD
93.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.8
EC50 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.8 | 8.57 | 1.6 | 3 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 8.25 | 8.25 | 5.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 1.585 | nM | 8.8 | Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay | 19592247 |
| Glucocorticoid receptor | IC50 | = | 1.66 | nM | 8.78 | Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB tra... | 17616395 |
| Glucocorticoid receptor | EC50 | = | 5.623 | nM | 8.25 | Agonist activity at glucocorticoid receptor in human A549 cells by MMTV transact... | 17616395 |
| Glucocorticoid receptor | IC50 | = | 7.413 | nM | 8.13 | Binding affinity to glucocorticoid receptor | 17616395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17616395 | 10.1016/j.bmcl.2007.06.066 | Glucocorticoid receptor | 6 |
| 19592247 | 10.1016/j.bmcl.2009.06.020 | Glucocorticoid receptor | 2 |
Data from ChEMBL 36 via Core Engine