Compound Detail
CHEMBL1237317
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COc1cc(/C=C\Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1.COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1237317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQGPFUQABWAMAT-PSDOXWGBSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
801.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | Ki | 8.1 | 8.1 | 8.0 | 2 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 6.21 | 6.21 | 610.0 | 2 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 6.12 | 6.12 | 750.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 8.0 | nM | 8.1 | Binding affinity for human prostanoid EP3 receptor | 15664806 |
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 8.0 | nM | 8.1 | Binding affinity to EP3 receptor | 16931013 |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 610.0 | nM | 6.21 | Binding affinity for human prostanoid EP4 receptor | 15664806 |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 610.0 | nM | 6.21 | Binding affinity to EP4 receptor | 16931013 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 750.0 | nM | 6.12 | Binding affinity for human prostanoid EP2 receptor | 15664806 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 750.0 | nM | 6.12 | Binding affinity to EP2 receptor | 16931013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664806 | 10.1016/j.bmcl.2004.11.051 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 15664806 | 10.1016/j.bmcl.2004.11.051 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 15664806 | 10.1016/j.bmcl.2004.11.051 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 15664806 | 10.1016/j.bmcl.2004.11.051 | Prostaglandin E2 receptor EP4 subtype | 1 |
| 15664806 | 10.1016/j.bmcl.2004.11.051 | HEK293 | 1 |
| 16931013 | 10.1016/j.bmcl.2006.08.025 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 16931013 | 10.1016/j.bmcl.2006.08.025 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 16931013 | 10.1016/j.bmcl.2006.08.025 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 16931013 | 10.1016/j.bmcl.2006.08.025 | Prostaglandin E2 receptor EP4 subtype | 1 |
Data from ChEMBL 36 via Core Engine