Compound Detail
CHEMBL251504
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Basic Information
| ChEMBL ID | CHEMBL251504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJKJSDLRYXXUDS-BJSAIBKMSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
4.61
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.87
EC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 6.87 | 6.87 | 134.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 6.74 | 6.74 | 181.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 6.65 | 6.65 | 222.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 15.0 | nM | 7.82 | Agonist activity at EP4 receptor expressed in HEK293 cells assessed as cAMP accu... | 17531488 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 134.0 | nM | 6.87 | Displacement of [3H]PGE2 from human EP2 receptor expressed in HEK293 cells | 17531488 |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 181.0 | nM | 6.74 | Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293 cells | 17531488 |
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 222.0 | nM | 6.65 | Agonist activity at EP2 receptor expressed in HEK293 cells assessed as cAMP accu... | 17531488 |
| Prostaglandin E2 receptor EP1 subtype | Ki | = | 10000.0 | nM | 5.0 | Displacement of [3H]PGE2 from human EP1 receptor expressed in HEK293 cells | 17531488 |
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 10000.0 | nM | 5.0 | Displacement of [3H]PGE2 from human EP3 receptor expressed in HEK293 cells | 17531488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17531488 | 10.1016/j.bmcl.2007.05.025 | Prostaglandin E2 receptor EP2 subtype | 2 |
| 17531488 | 10.1016/j.bmcl.2007.05.025 | Prostaglandin E2 receptor EP4 subtype | 2 |
| 17531488 | 10.1016/j.bmcl.2007.05.025 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 17531488 | 10.1016/j.bmcl.2007.05.025 | Prostaglandin E2 receptor EP3 subtype | 1 |
Data from ChEMBL 36 via Core Engine