Compound Detail
CHEMBL3754586
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Basic Information
| ChEMBL ID | CHEMBL3754586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPIKUTNQCOTYDP-YRCJHFKKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
4.06
ALogP
6
HBA
2
HBD
90.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 9.41 | 9.41 | 0.4 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | EC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 0.39 | nM | 9.41 | Agonist activity at human EP2 receptor | 26725951 |
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at human EP4 receptor | 26725951 |
| Prostaglandin E2 receptor EP3 subtype | EC50 | = | 310.0 | nM | 6.51 | Agonist activity at human EP3 receptor | 26725951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26725951 | 10.1016/j.bmcl.2015.12.039 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 26725951 | 10.1016/j.bmcl.2015.12.039 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 26725951 | 10.1016/j.bmcl.2015.12.039 | Prostaglandin E2 receptor EP4 subtype | 1 |
Data from ChEMBL 36 via Core Engine