Compound Detail
CHEMBL595159
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 | CHEMBL595159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUWDWCVTMUTFJT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
4.14
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.0
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype CHEMBL4336 | Ki | 7.0 | 7.0 | 99.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL4336 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL2489 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 99.0 | nM | 7.0 | Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells by liqui... | 19700331 |
| Prostaglandin E2 receptor EP3 subtype | IC50 | = | 1200.0 | nM | 5.92 | Antagonist activity at mouse EP3alpha receptor expressed in CHo cells assessed a... | 19700331 |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 2900.0 | nM | 5.54 | Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells by liqui... | 19700331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19700331 | 10.1016/j.bmc.2009.08.007 | Prostaglandin E2 receptor EP3 subtype | 2 |
| 19700331 | 10.1016/j.bmc.2009.08.007 | Prostaglandin E2 receptor EP4 subtype | 1 |
| 19700331 | 10.1016/j.bmc.2009.08.007 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 19700331 | 10.1016/j.bmc.2009.08.007 | Prostaglandin E2 receptor EP2 subtype | 1 |
Data from ChEMBL 36 via Core Engine