Compound Detail
CHEMBL3586362
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Basic Information
| ChEMBL ID | CHEMBL3586362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWLAGTVXPWWBIB-OAHLLOKOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
437.9
MW (Da)
4.89
ALogP
4
HBA
1
HBD
50.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | IC50 | 8.7 | 8.35 | 2.0 | 2 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | IC50 | = | 2.0 | nM | 8.7 | Displacement of [3H]-PGE2 from human EP2 receptor overexpressed in human ECV304 ... | 26061158 |
| Prostaglandin E2 receptor EP2 subtype | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at human EP2 receptor overexpressed in human ECV304 cells as... | 26061158 |
| Prostaglandin E2 receptor EP4 subtype | IC50 | = | 20000.0 | nM | 4.7 | Displacement of [3H]-PGE2 from human EP4 receptor overexpressed in human ECV304 ... | 26061158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26061158 | 10.1021/acs.jmedchem.5b00567 | Prostaglandin E2 receptor EP2 subtype | 2 |
| 26061158 | 10.1021/acs.jmedchem.5b00567 | Unchecked | 1 |
| 26061158 | 10.1021/acs.jmedchem.5b00567 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 26061158 | 10.1021/acs.jmedchem.5b00567 | Prostaglandin E2 receptor EP4 subtype | 1 |
| 26061158 | 10.1021/acs.jmedchem.5b00567 | Prostaglandin E2 receptor EP1 subtype | 1 |
Data from ChEMBL 36 via Core Engine