Compound Detail
CHEMBL47018
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Basic Information
| ChEMBL ID | CHEMBL47018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEKKXPQQEMTGJG-GNYUZVITSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
4.97
ALogP
3
HBA
2
HBD
77.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.44
EC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 6.44 | 6.44 | 360.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 6.44 | 6.44 | 360.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 360.0 | nM | 6.44 | Agonist activity against recombinant prostanoid EP4 receptor stably transfected ... | 15026044 |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 360.0 | nM | 6.44 | Binding affinity was determined against prostanoid EP4 receptor | 15026044 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 32000.0 | nM | 4.5 | Binding affinity was determined against prostanoid EP2 receptor | 15026044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026044 | 10.1016/j.bmcl.2004.01.063 | Prostaglandin E2 receptor EP4 subtype | 2 |
| 15026044 | 10.1016/j.bmcl.2004.01.063 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 15026044 | 10.1016/j.bmcl.2004.01.063 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 15026044 | 10.1016/j.bmcl.2004.01.063 | Prostaglandin E2 receptor EP3 subtype | 1 |
Data from ChEMBL 36 via Core Engine