Compound Detail
CHEMBL258332
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
O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL258332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGEIKXUPHBHCKZ-BPFVEMAFSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.9
MW (Da)
3.73
ALogP
3
HBA
2
HBD
77.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.52
Ki 2 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 10.7 | 10.7 | 0.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 10.52 | 10.52 | 0.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 0.02 | nM | 10.7 | Displacement of [3H]PGE4 from human EP4 receptor | 18039575 |
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 0.03 | nM | 10.52 | Agonist activity at human EP4 receptor by cAMP assay | 18039575 |
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 250.0 | nM | 6.6 | Agonist activity at human EP2 receptor by cAMP assay | 18039575 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]PGE2 from human EP2 receptor | 18039575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18039575 | 10.1016/j.bmcl.2007.11.020 | Prostaglandin E2 receptor EP2 subtype | 2 |
| 18039575 | 10.1016/j.bmcl.2007.11.020 | Prostaglandin E2 receptor EP4 subtype | 2 |
| 18039575 | 10.1016/j.bmcl.2007.11.020 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine