Compound Detail
CHEMBL444798
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL444798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSPAEDJDADQTKU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.83
ALogP
3
HBA
2
HBD
77.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL4086 | IC50 | 5.56 | 5.56 | 2767.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | IC50 | = | 2767.0 | nM | 5.56 | Binding affinity to rat EP4 receptor expressed in HEK293 cells | 16442794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16442794 | 10.1016/j.bmcl.2006.01.018 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 16442794 | 10.1016/j.bmcl.2006.01.018 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 16442794 | 10.1016/j.bmcl.2006.01.018 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 16442794 | 10.1016/j.bmcl.2006.01.018 | Prostaglandin E2 receptor EP4 subtype | 1 |
Data from ChEMBL 36 via Core Engine