Compound Detail
CHEMBL521964
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O=C(O)CCC/C=C\C[C@@H]1[C@@H](OC[C@H](O)CCc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL521964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLSNJVCYRKKOFS-AGDVZXGHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
3.33
ALogP
5
HBA
4
HBD
107.2
PSA (Ų)
0.28
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.24
Ki 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor CHEMBL5000 | EC50 | 8.24 | 8.24 | 5.7 | 1 |
| Prostaglandin F2-alpha receptor CHEMBL4820 | Ki | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor | EC50 | = | 5.7 | nM | 8.24 | Agonist activity at FP receptor in Swiss mouse 3T3 cells assessed as [3H]-IP acc... | 19101156 |
| Prostaglandin F2-alpha receptor | Ki | = | 130.0 | nM | 6.89 | Displacement of [3H]PGF2 alpha from FP receptor in bovine corpus luteum membrane | 19101156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19101156 | 10.1016/j.bmc.2008.11.070 | Prostaglandin F2-alpha receptor | 3 |
Data from ChEMBL 36 via Core Engine