Compound Detail
CHEMBL1929531
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Basic Information
| ChEMBL ID | CHEMBL1929531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRIPWGCQFPPQHK-WARJXXDVSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
3.13
ALogP
5
HBA
2
HBD
87.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.1
EC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL2489 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL4086 | EC50 | 7.75 | 7.75 | 18.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL2181 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL4336 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 7.9 | nM | 8.1 | Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 6... | 22204740 |
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 18.0 | nM | 7.75 | Agonist activity at rat EP4 receptor expressed in CHO cells assessed as cAMP pro... | 22204740 |
| Prostaglandin E2 receptor EP1 subtype | Ki | = | 2400.0 | nM | 5.62 | Displacement of [3H]-PGE2 from mouse EP1 receptor expressed in CHO cells after 2... | 22204740 |
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 2700.0 | nM | 5.57 | Displacement of [3H]-PGE2 from mouse EP3 receptor expressed in CHO cells after 6... | 22204740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22204740 | 10.1016/j.bmc.2011.12.009 | Prostaglandin E2 receptor EP4 subtype | 2 |
| 22204740 | 10.1016/j.bmc.2011.12.009 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 22204740 | 10.1016/j.bmc.2011.12.009 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 22204740 | 10.1016/j.bmc.2011.12.009 | Prostaglandin E2 receptor EP3 subtype | 1 |
Data from ChEMBL 36 via Core Engine