Compound Detail
CHEMBL249952
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 | CHEMBL249952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVPGVILOMSPMMY-HXUWFJFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
2.37
ALogP
4
HBA
2
HBD
81.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 6.87 | 6.87 | 134.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 134.0 | nM | 6.87 | Binding affinity at human prostaglandin EP4 receptor | 17931866 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 9200.0 | nM | 5.04 | Binding affinity at human prostaglandin EP2 receptor | 17931866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17931866 | 10.1016/j.bmcl.2007.09.074 | Prostaglandin E2 receptor EP2 subtype | 2 |
| 17931866 | 10.1016/j.bmcl.2007.09.074 | Prostaglandin E2 receptor EP4 subtype | 2 |
Data from ChEMBL 36 via Core Engine