Compound Detail
CHEMBL222085
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Basic Information
| ChEMBL ID | CHEMBL222085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQSRQHHMLDHYBU-OZVGAOPWSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.36
ALogP
4
HBA
2
HBD
87.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 5.68 | 5.68 | 2100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 23.33 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 0.75 | hr | Rattus norvegicus |
| Vd | 1.5 | 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 | EC50 | = | 2100.0 | nM | 5.68 | Functional activity at human EP4 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 |
Data from ChEMBL 36 via Core Engine