Compound Detail
CHEMBL2105672
EVATANEPAG SODIUM Enter ChEMBL ID:
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CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)[O-])c2)S(=O)(=O)c2cccnc2)cc1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL2105672 |
| Name | EVATANEPAG SODIUM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVNBMCJEDANCKY-UHFFFAOYSA-M |
| Parent Compound | CHEMBL563646 |
| Active Moiety | CHEMBL563646 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
6
Known Names
Molecular Properties
468.6
MW (Da)
4.23
ALogP
5
HBA
1
HBD
96.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
EC50 1 meas. best 7.77
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 16.0 | nM | 7.8 | Displacement of [3H]prostaglandin E2 from human EP2 receptor expressed in HEK293... | 29995405 |
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 17.0 | nM | 7.77 | Agonist activity at recombinant human EP2 receptor expressed in HEK293 cells ass... | 29995405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29995405 | 10.1021/acs.jmedchem.8b00808 | Prostaglandin E2 receptor EP2 subtype | 2 |
Data from ChEMBL 36 via Core Engine