Compound Detail
CHEMBL491475
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O=C(O)CCC/C=C\C[C@@H]1[C@@H](OC[C@H](O)COc2ccccc2)[C@H](O)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL491475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYMKBRFXEHNVOK-XKRIOCRBSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
1.75
ALogP
6
HBA
4
HBD
116.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.16
Ki 1 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor CHEMBL5000 | EC50 | 7.16 | 7.16 | 68.6 | 1 |
| Prostaglandin F2-alpha receptor CHEMBL4820 | Ki | 7.06 | 7.06 | 87.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor | EC50 | = | 68.6 | nM | 7.16 | Agonist activity at FP receptor in Swiss mouse 3T3 cells assessed as [3H]-IP acc... | 19101156 |
| Prostaglandin F2-alpha receptor | Ki | = | 87.0 | nM | 7.06 | 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