Compound Detail
CHEMBL186954
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
Basic Information
| ChEMBL ID | CHEMBL186954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFTDMBYAYYEBDL-XWYQMZBESA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
5.80
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.60
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.52
IC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL3368 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Glucocorticoid receptor CHEMBL3368 | EC50 | 8.52 | 8.34 | 3.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 2.5 | nM | 8.6 | Inhibition against U2OS cells expressing rat Glucocorticoid receptor | 15380227 |
| Glucocorticoid receptor | EC50 | = | 3.0 | nM | 8.52 | Repression of AP1-luciferase reporter activity in TPA-stimulated U2OS cells expr... | 15380227 |
| Glucocorticoid receptor | EC50 | = | 4.0 | nM | 8.4 | Effective concentration against MMTV in transactivation assay in U2OS cells expr... | 15380227 |
| Glucocorticoid receptor | EC50 | = | 8.0 | nM | 8.1 | Repression of NF-kappaB-luciferase reporter activity in TPA stimulated U2OS cell... | 15380227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15380227 | 10.1016/j.bmcl.2004.07.052 | Glucocorticoid receptor | 8 |
Data from ChEMBL 36 via Core Engine