Compound Detail
CHEMBL222782
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 | CHEMBL222782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWUOWFXIMDPFSC-UNERYHBUSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
3.42
ALogP
3
HBA
2
HBD
77.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.0
EC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 9.7 | 9.7 | 0.2 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 7.12 | 7.12 | 75.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | Ki | 4.1 | 4.1 | 79000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 0.2 | nM | 9.7 | Functional activity at human EP4 receptor | 15566283 |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 1.0 | nM | 9.0 | Binding affinity to human EP4 receptor | 15566283 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 75.0 | nM | 7.12 | Binding affinity to human EP2 receptor | 15566283 |
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 79000.0 | nM | 4.1 | Binding affinity to human EP3 receptor | 15566283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566283 | 10.1021/jm049290a | Prostaglandin E2 receptor EP4 subtype | 2 |
| 15566283 | 10.1021/jm049290a | Prostaglandin E2 receptor EP2 subtype | 1 |
| 15566283 | 10.1021/jm049290a | Prostaglandin E2 receptor EP3 subtype | 1 |
| 15566283 | 10.1021/jm049290a | Prostaglandin E2 receptor EP1 subtype | 1 |
Data from ChEMBL 36 via Core Engine