| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | G02AD01 |
| UNII: | B7IN85G1HY |
Structure
| InChI Key | PXGPLTODNUVGFL-YNNPMVKQSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H34O5 |
| Molecular Weight | 354.49 |
| AlogP | 3.04 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 97.99 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 13 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Lipid-like ligand receptor (family A GPCR)
Prostanoid receptor
|
13-25 | 3-43 | - | 129-130 | - |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 15553 |
| ChEMBL | CHEMBL815 |
| DrugBank | DB12789 |
| DrugCentral | 912 |
| EPA CompTox | DTXSID9022946 |
| FDA SRS | B7IN85G1HY |
| Guide to Pharmacology | 1884 |
| KEGG | C00639 |
| SureChEMBL | SCHEMBL24292 |
| ZINC | ZINC000003830709 |
CONTENTS