Compound Detail
CHEMBL2315047
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 | CHEMBL2315047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDUFQAJHKGKMQW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
459.4
MW (Da)
5.93
ALogP
3
HBA
0
HBD
42.4
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL2181 | Kd | 4.8 | 4.8 | 15800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | Kd | = | 15848.93 | nM | 4.8 | Antagonist activity at mouse EP1 receptor expressed in CHOK1 cells assessed as i... | 23218714 |
| Prostaglandin E2 receptor EP1 subtype | Kd | = | 15800.0 | nM | 4.8 | Antagonist activity at mouse EP1 receptor expressed in CHOK1 cells assessed as i... | 23218714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23218714 | 10.1016/j.bmcl.2012.11.046 | Prostaglandin E2 receptor EP1 subtype | 2 |
| 23218714 | 10.1016/j.bmcl.2012.11.046 | Thromboxane A2 receptor | 1 |
| 23218714 | 10.1016/j.bmcl.2012.11.046 | Prostaglandin E2 receptor EP4 subtype | 1 |
| 23218714 | 10.1016/j.bmcl.2012.11.046 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 23218714 | 10.1016/j.bmcl.2012.11.046 | Prostaglandin E2 receptor EP2 subtype | 1 |
Data from ChEMBL 36 via Core Engine