Compound Detail
CHEMBL192729
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O=C(O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1
Basic Information
| ChEMBL ID | CHEMBL192729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFTMRQDQKJTSPG-QFIPXVFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
4.00
ALogP
6
HBA
4
HBD
147.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 9.04 | 9.04 | 0.9 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL4086 | Ki | 8.29 | 8.29 | 5.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 0.91 | nM | 9.04 | Inhibition of [3H]PGE-2 binding to human prostanoid EP4 receptor | 15857112 |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 5.1 | nM | 8.29 | Inhibition of rat prostanoid EP4 receptor | 15857112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857112 | 10.1021/jm050085k | Prostaglandin E2 receptor EP4 subtype | 2 |
| 15857112 | 10.1021/jm050085k | Prostacyclin receptor | 1 |
| 15857112 | 10.1021/jm050085k | Prostaglandin D2 receptor | 1 |
| 15857112 | 10.1021/jm050085k | Prostaglandin F2-alpha receptor | 1 |
| 15857112 | 10.1021/jm050085k | Thromboxane A2 receptor | 1 |
| 15857112 | 10.1021/jm050085k | Prostaglandin E2 receptor EP1 subtype | 1 |
| 15857112 | 10.1021/jm050085k | Prostaglandin E2 receptor EP2 subtype | 1 |
| 15857112 | 10.1021/jm050085k | Prostaglandin E2 receptor EP3 subtype | 1 |
Data from ChEMBL 36 via Core Engine