Compound Detail
CHEMBL360248
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C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)c1ccc(C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL360248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXHMDDYKLDICMG-KIDMSAQOSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
6.51
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.62
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL3368 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Glucocorticoid receptor CHEMBL3368 | EC50 | 7.62 | 7.5467 | 24.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 14.0 | nM | 7.85 | Inhibition against U2OS cells expressing rat Glucocorticoid receptor | 15380227 |
| Glucocorticoid receptor | EC50 | = | 24.0 | nM | 7.62 | Repression of NF-kappaB-luciferase reporter activity in TPA stimulated U2OS cell... | 15380227 |
| Glucocorticoid receptor | EC50 | = | 31.0 | nM | 7.51 | Effective concentration against MMTV in transactivation assay in U2OS cells expr... | 15380227 |
| Glucocorticoid receptor | EC50 | = | 31.0 | nM | 7.51 | Repression of AP1-luciferase reporter activity in TPA-stimulated U2OS cells expr... | 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