Compound Detail
CHEMBL376347
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Basic Information
| ChEMBL ID | CHEMBL376347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQNWSLIWEXGOQR-OALUTQOASA-N |
3
Targets
4
Activities
2
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
3.64
ALogP
3
HBA
2
HBD
77.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.77
EC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | Ki | 4.04 | 4.04 | 90300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 50.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 3.5 | hr | Rattus norvegicus |
| Vd | 15.3 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 17.0 | nM | 7.77 | Binding affinity to human EP4 receptor | 15566283 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 35.0 | nM | 7.46 | Binding affinity to human EP2 receptor | 15566283 |
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 130.0 | nM | 6.89 | Functional activity at human EP4 receptor | 15566283 |
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 90300.0 | nM | 4.04 | Binding affinity to human EP3 receptor | 15566283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566283 | 10.1021/jm049290a | Rattus norvegicus | 3 |
| 15566283 | 10.1021/jm049290a | Prostaglandin E2 receptor EP4 subtype | 2 |
| 15566283 | 10.1021/jm049290a | Prostaglandin E2 receptor EP2 subtype | 1 |
| 15566283 | 10.1021/jm049290a | Prostaglandin E2 receptor EP3 subtype | 1 |
| 15566283 | 10.1021/jm049290a | Prostaglandin E2 receptor EP1 subtype | 1 |
Data from ChEMBL 36 via Core Engine