Compound Detail
CHEMBL184249
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O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL184249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITIXNUZFXYCYOE-JABKGTPHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
2.95
ALogP
5
HBA
3
HBD
96.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.24
Ki 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor CHEMBL1987 | EC50 | 7.24 | 7.24 | 57.0 | 1 |
| Prostaglandin F2-alpha receptor CHEMBL4820 | Ki | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor | EC50 | = | 57.0 | nM | 7.24 | Efficacy for stimulation of prostanoid FP receptor-linked phosphoinositide turno... | 15357985 |
| Prostaglandin F2-alpha receptor | Ki | = | 330.0 | nM | 6.48 | Binding affinity for Prostanoid FP receptor of bovine corpus luteum | 15357985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15357985 | 10.1016/j.bmcl.2004.06.037 | Prostaglandin F2-alpha receptor | 3 |
Data from ChEMBL 36 via Core Engine