Compound Detail
CHEMBL4217198
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Basic Information
| ChEMBL ID | CHEMBL4217198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVWBRJCSHVIQES-CUJCATKOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
4.81
ALogP
6
HBA
2
HBD
87.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 10.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 10.17 | 10.17 | 0.1 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | EC50 | 9.1 | 9.1 | 0.8 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 0.068 | nM | 10.17 | Agonist activity at recombinant human EP2 receptor expressed in CHO cells assess... | 29203142 |
| Prostaglandin E2 receptor EP3 subtype | EC50 | = | 0.8 | nM | 9.1 | Agonist activity at recombinant human EP3 receptor expressed in CHO cells assess... | 29203142 |
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 26.0 | nM | 7.58 | Agonist activity at recombinant human EP4 receptor expressed in CHO cells assess... | 29203142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29203142 | 10.1016/j.bmc.2017.11.035 | Unchecked | 3 |
| 29203142 | 10.1016/j.bmc.2017.11.035 | Prostaglandin E2 receptor EP4 subtype | 1 |
| 29203142 | 10.1016/j.bmc.2017.11.035 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 29203142 | 10.1016/j.bmc.2017.11.035 | Prostaglandin E2 receptor EP2 subtype | 1 |
Data from ChEMBL 36 via Core Engine