Compound Detail
CHEMBL376053
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Basic Information
| ChEMBL ID | CHEMBL376053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LREWFVYIDKQTCI-FLPZBXERSA-N |
4
Targets
4
Activities
1
Assay Types
4
PK Parameters
10
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
5.93
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 6.07 | 6.07 | 860.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | Ki | 4.72 | 4.72 | 19000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 10.0 | ml/min | Rattus norvegicus |
| Cmax | 22000.0 | nM | Rattus norvegicus |
| F | 97.0 | % | Rattus norvegicus |
| T1/2 | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 9.0 | nM | 8.05 | Binding affinity to EP3 receptor | 16931013 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 860.0 | nM | 6.07 | Binding affinity to EP2 receptor | 16931013 |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 2000.0 | nM | 5.7 | Binding affinity to EP4 receptor | 16931013 |
| Prostaglandin E2 receptor EP1 subtype | Ki | = | 19000.0 | nM | 4.72 | Binding affinity to EP1 receptor | 16931013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16931013 | 10.1016/j.bmcl.2006.08.025 | Rattus norvegicus | 7 |
| 16931013 | 10.1016/j.bmcl.2006.08.025 | Prostaglandin E2 receptor EP3 subtype | 2 |
| 16931013 | 10.1016/j.bmcl.2006.08.025 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 16931013 | 10.1016/j.bmcl.2006.08.025 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 16931013 | 10.1016/j.bmcl.2006.08.025 | Prostaglandin E2 receptor EP4 subtype | 1 |
| 16931013 | 10.1016/j.bmcl.2006.08.025 | Hepatocyte | 1 |
| 16931013 | 10.1016/j.bmcl.2006.08.025 | Prostacyclin receptor | 1 |
| 16931013 | 10.1016/j.bmcl.2006.08.025 | Thromboxane A2 receptor | 1 |
| 16931013 | 10.1016/j.bmcl.2006.08.025 | Prostaglandin F2-alpha receptor | 1 |
| 16931013 | 10.1016/j.bmcl.2006.08.025 | Prostaglandin D2 receptor | 1 |
Data from ChEMBL 36 via Core Engine