Compound Detail
CHEMBL185484
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CC(C)OC(=O)CCC/C=C/C[C@@H]1[C@@H](/C=C/C(O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL185484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKPLKVHSHYCHOC-ZRUANHCFSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
4.43
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.57
Ki 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor CHEMBL1987 | EC50 | 8.57 | 8.57 | 2.7 | 1 |
| Prostaglandin F2-alpha receptor CHEMBL4820 | Ki | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor | EC50 | = | 2.7 | nM | 8.57 | Efficacy for stimulation of prostanoid FP receptor-linked phosphoinositide turno... | 15357985 |
| Prostaglandin F2-alpha receptor | Ki | = | 52.0 | nM | 7.28 | 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 |
| 15357985 | 10.1016/j.bmcl.2004.06.037 | Oryctolagus cuniculus | 1 |
| 15357985 | 10.1016/j.bmcl.2004.06.037 | Rattus norvegicus | 1 |
| 15357985 | 10.1016/j.bmcl.2004.06.037 | Monkey | 1 |
Data from ChEMBL 36 via Core Engine