Compound Detail
CHEMBL379746
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Basic Information
| ChEMBL ID | CHEMBL379746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NESDMEUWISZOKC-ZWKOTPCHSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
436.0
MW (Da)
4.41
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.96
EC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL4086 | EC50 | 9.22 | 9.22 | 0.6 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL4086 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL4909 | IC50 | 6.73 | 6.73 | 188.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 0.6 | nM | 9.22 | Activity at rat EP4 transfected in HEK293 cells by cAMP accumulation | 16442794 |
| Prostaglandin E2 receptor EP4 subtype | IC50 | = | 1.1 | nM | 8.96 | Binding affinity to rat EP4 receptor expressed in HEK293 cells | 16442794 |
| Prostaglandin E2 receptor EP2 subtype | IC50 | = | 188.0 | nM | 6.73 | Binding affinity to rat EP2 receptor expressed in HEK293 cells | 16442794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16442794 | 10.1016/j.bmcl.2006.01.018 | Prostaglandin E2 receptor EP4 subtype | 3 |
| 16442794 | 10.1016/j.bmcl.2006.01.018 | Prostaglandin E2 receptor EP2 subtype | 1 |
Data from ChEMBL 36 via Core Engine