Compound Detail
CHEMBL249954
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Basic Information
| ChEMBL ID | CHEMBL249954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZWDACYVXIULCX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
3.10
ALogP
4
HBA
2
HBD
81.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.7
EC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 5.61 | 5.61 | 2440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 1300.0 | nM | 5.89 | Agonist activity at human prostaglandin EP2 receptor | 17931866 |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 2000.0 | nM | 5.7 | Binding affinity at human prostaglandin EP4 receptor | 17931866 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 2440.0 | nM | 5.61 | 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 | 1 |
Data from ChEMBL 36 via Core Engine