Compound Detail
CHEMBL14359
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 | CHEMBL14359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZCVIBSSODXGNY-XIFFAYIDSA-N |
3
Targets
5
Activities
2
Assay Types
1
PK Parameters
13
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
3.17
ALogP
3
HBA
2
HBD
77.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.59
EC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 8.59 | 8.4 | 2.6 | 2 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 4.51 | 4.51 | 31000.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3333 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 2.6 | nM | 8.59 | Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinant... | 12643927 |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 6.1 | nM | 8.21 | Binding affinity was determined against prostanoid EP4 receptor | 15026044 |
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 140.0 | nM | 6.85 | Agonist activity against recombinant prostanoid EP4 receptor stably transfected ... | 15026044 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 31000.0 | nM | 4.51 | Binding affinity was determined against prostanoid EP2 receptor | 15026044 |
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 100000.0 | nM | 4.0 | Binding affinity was determined against prostanoid EP3 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 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin E2 receptor EP4 subtype | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin D2 receptor | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin F2-alpha receptor | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostacyclin receptor | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Thromboxane A2 receptor | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine