Compound Detail
CHEMBL46325
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COc1cccc2c1-c1ccc3c(c1[C@H]([C@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3
Basic Information
| ChEMBL ID | CHEMBL46325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOUVODOOOFQPOC-DWXRJYCRSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.6
MW (Da)
7.15
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.5
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.72 | 7.56 | 19.0 | 2 |
| Cell line CHEMBL614840 | EC50 | 7.5 | 7.064 | 32.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 19.0 | nM | 7.72 | Inhibition of transcriptional repression in CV-1 cells expressing glucocorticoid... | 15026058 |
| Cell line | EC50 | = | 32.0 | nM | 7.5 | Effective concentration of compound for transcriptional activation of collagenas... | 15026058 |
| Cell line | EC50 | = | 35.0 | nM | 7.46 | Effective concentration of compound for transcriptional activation of PGE-2 in H... | 15026058 |
| Glucocorticoid receptor | IC50 | = | 40.0 | nM | 7.4 | Inhibition of transcriptional activation in CV-1 cells expressing glucocorticoid... | 15026058 |
| Cell line | EC50 | = | 62.0 | nM | 7.21 | Effective concentration of compound for transcriptional activation of IL-6 in Hu... | 15026058 |
| Cell line | EC50 | = | 110.0 | nM | 6.96 | Effective concentration of compound for transcriptional activation of TAT in Hum... | 15026058 |
| Cell line | EC50 | = | 640.0 | nM | 6.19 | Effective concentration for transcriptional activation of aromatase in Human cel... | 15026058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026058 | 10.1016/j.bmcl.2004.01.044 | Cell line | 12 |
| 15026058 | 10.1016/j.bmcl.2004.01.044 | Glucocorticoid receptor | 5 |
| 15026058 | 10.1016/j.bmcl.2004.01.044 | Progesterone receptor | 2 |
Data from ChEMBL 36 via Core Engine