Compound Detail
CHEMBL222834
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Basic Information
| ChEMBL ID | CHEMBL222834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWXKGRPSESCVJB-RBJONROZSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.22
ALogP
4
HBA
2
HBD
87.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.15
EC50 1 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 8.23 | 8.23 | 5.9 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 0.7 | nM | 9.15 | Binding affinity to human EP4 receptor | 15566283 |
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 5.9 | nM | 8.23 | Functional activity at human EP4 receptor | 15566283 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 2500.0 | nM | 5.6 | Binding affinity to human EP2 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