Compound Detail
CHEMBL224970
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Basic Information
| ChEMBL ID | CHEMBL224970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSQGDFANXYXTME-ODYMAQSMSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
3.48
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.16
EC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 8.16 | 8.16 | 6.9 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 7.92 | 7.92 | 12.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 6.9 | nM | 8.16 | Binding affinity to human EP4 receptor | 15566283 |
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 12.0 | nM | 7.92 | Functional activity at human EP4 receptor | 15566283 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 3700.0 | nM | 5.43 | 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