Compound Detail
CHEMBL278451
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Basic Information
| ChEMBL ID | CHEMBL278451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJAUBUSJQRXFTG-GETIXZKPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
3.91
ALogP
3
HBA
2
HBD
77.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 7.21 | 7.21 | 62.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | Ki | 4.98 | 4.98 | 10560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 62.0 | nM | 7.21 | Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinant... | 12643927 |
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 10560.0 | nM | 4.98 | Binding affinity towards EP3 receptor expressed in HEK293 ebna cells recombinant... | 12643927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin E2 receptor EP4 subtype | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin D2 receptor | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin F2-alpha receptor | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostacyclin receptor | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine