Compound Detail
CHEMBL1957308
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Basic Information
| ChEMBL ID | CHEMBL1957308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEQIDWZOBUPIGE-JFDVKVQISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
411.9
MW (Da)
3.39
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL2489 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL2488 | Ki | 5.16 | 5.16 | 6900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 9.0 | nM | 8.05 | Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 6... | 22386979 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 6900.0 | nM | 5.16 | Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 6... | 22386979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22386979 | 10.1016/j.bmc.2012.02.018 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 22386979 | 10.1016/j.bmc.2012.02.018 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 22386979 | 10.1016/j.bmc.2012.02.018 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 22386979 | 10.1016/j.bmc.2012.02.018 | Prostaglandin E2 receptor EP4 subtype | 1 |
Data from ChEMBL 36 via Core Engine