Compound Detail
CHEMBL376063
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Basic Information
| ChEMBL ID | CHEMBL376063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMXWOQZGNLEQRU-AJKRIUKHSA-N |
1
Targets
2
Activities
2
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
329.5
MW (Da)
2.29
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.97
Ki 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 6.28 | 6.28 | 530.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 4.97 | 4.97 | 10700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Rattus norvegicus |
| t1/2 | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 530.0 | nM | 6.28 | Binding affinity to human EP4 receptor | 15566283 |
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 10700.0 | nM | 4.97 | Functional activity at human EP4 receptor | 15566283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566283 | 10.1021/jm049290a | Prostaglandin E2 receptor EP4 subtype | 2 |
| 15566283 | 10.1021/jm049290a | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine