Compound Detail
CHEMBL604546
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Basic Information
| ChEMBL ID | CHEMBL604546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZTUSPHKCBTOSQ-ZDUSSCGKSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
427.9
MW (Da)
5.80
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.51
IC50 1 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 8.51 | 8.51 | 3.1 | 2 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | IC50 | 8.07 | 8.07 | 8.6 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 6.33 | 6.33 | 467.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 3.1 | nM | 8.51 | Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293-EBNA cells ... | 20163116 |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 3.1 | nM | 8.51 | Binding Assay: Transfected HEK 293(ebna) cells are maintained in culture, harves... | - |
| Prostaglandin E2 receptor EP4 subtype | IC50 | = | 8.6 | nM | 8.07 | Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as ... | 20163116 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 467.0 | nM | 6.33 | Displacement of [3H]PGE2 from human EP2 receptor expressed in HEK293-EBNA cells ... | 20163116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20163116 | 10.1021/jm901771h | Prostaglandin E2 receptor EP4 subtype | 2 |
| 20163116 | 10.1021/jm901771h | Prostaglandin E2 receptor EP2 subtype | 1 |
| 20163116 | 10.1021/jm901771h | Prostaglandin E2 receptor EP1 subtype | 1 |
| 20163116 | 10.1021/jm901771h | Prostaglandin E2 receptor EP3 subtype | 1 |
| 20163116 | 10.1021/jm901771h | Prostaglandin D2 receptor | 1 |
| 20163116 | 10.1021/jm901771h | Prostaglandin D2 receptor 2 | 1 |
| 20163116 | 10.1021/jm901771h | Prostacyclin receptor | 1 |
| 20163116 | 10.1021/jm901771h | Thromboxane A2 receptor | 1 |
| 20163116 | 10.1021/jm901771h | Prostaglandin F2-alpha receptor | 1 |
Data from ChEMBL 36 via Core Engine