Compound Detail
CHEMBL280223
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Basic Information
| ChEMBL ID | CHEMBL280223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVDIXSPSNQPVNX-QHYGYJHXSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
3.66
ALogP
3
HBA
2
HBD
77.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.92
EC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 7.92 | 7.92 | 12.0 | 2 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 6.75 | 6.75 | 180.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | Ki | 5.48 | 5.09 | 3340.0 | 2 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | Ki | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 12.0 | nM | 7.92 | Binding affinity was determined against prostanoid EP4 receptor | 15026044 |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 12.0 | nM | 7.92 | Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinant... | 12643927 |
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 180.0 | nM | 6.75 | Agonist activity against recombinant prostanoid EP4 receptor stably transfected ... | 15026044 |
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 3340.0 | nM | 5.48 | Binding affinity towards EP3 receptor expressed in HEK293 ebna cells recombinant... | 12643927 |
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 20000.0 | nM | 4.7 | Binding affinity was determined against prostanoid EP3 receptor | 15026044 |
| Prostaglandin E2 receptor EP1 subtype | Ki | = | 28000.0 | nM | 4.55 | Binding affinity was determined against prostanoid EP1 receptor | 15026044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026044 | 10.1016/j.bmcl.2004.01.063 | Prostaglandin E2 receptor EP4 subtype | 2 |
| 15026044 | 10.1016/j.bmcl.2004.01.063 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 15026044 | 10.1016/j.bmcl.2004.01.063 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 15026044 | 10.1016/j.bmcl.2004.01.063 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin E2 receptor EP4 subtype | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin D2 receptor | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostaglandin F2-alpha receptor | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Prostacyclin receptor | 1 |
| 12643927 | 10.1016/s0960-894x(03)00042-8 | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine