Structure

InChI Key GGXICVAJURFBLW-CEYXHVGTSA-N
Smiles CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O
InChI
InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H40O5
Molecular Weight 432.6
AlogP 4.19
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 86.99
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid FP receptor agonist AGONIST FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Other ion channel Pore-forming toxins (proteins and peptides)
- - - - 11.4
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Oryctolagus cuniculus
- - - - 11.4

Target Conservation

Protein: Prostanoid FP receptor

Description: Prostaglandin F2-alpha receptor

Organism : Homo sapiens

P43088 ENSG00000122420

Related Entries

Cross References

Resources Reference
ChEBI 6384
ChEMBL CHEMBL1051
DrugBank DB00654
DrugCentral 1551
FDA SRS 6Z5B6HVF6O
Human Metabolome Database HMDB0014792
Guide to Pharmacology 1961
KEGG D00356
PubChem 5311221
SureChEMBL SCHEMBL24698
ZINC ZINC000012468792