Compound Detail
CHEMBL404414
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Basic Information
| ChEMBL ID | CHEMBL404414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDVFFCPULSQTQN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
508.4
MW (Da)
2.97
ALogP
4
HBA
2
HBD
81.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 5.63 | 5.63 | 2360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 27.0 | nM | 7.57 | Binding affinity at human prostaglandin EP4 receptor | 17931866 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 2360.0 | nM | 5.63 | 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 | 1 |
| 17931866 | 10.1016/j.bmcl.2007.09.074 | Prostaglandin E2 receptor EP4 subtype | 1 |
Data from ChEMBL 36 via Core Engine