SEPETAPROST

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 79O7855J4G

Structure
InChI Key BKVUSNOUTQMSBE-XCMGCKIWSA-N
Smile CC(C)OC(=O)CCC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2cc(F)ccc2F)OC1
InChI
InChI=1S/C26H36F2O6/c1-16(2)34-26(31)5-3-4-17-6-9-21-20(23(30)13-24(21)32-14-17)10-8-19(29)15-33-25-12-18(27)7-11-22(25)28/h7-8,10-12,16-17,19-21,23-24,29-30H,3-6,9,13-15H2,1-2H3/b10-8+/t17-,19+,20+,21+,23+,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H36F2O6
Molecular Weight 482.56
AlogP 4.17
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 85.22
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Prostanoid EP3 receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
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Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297633
DrugBank DB12043
FDA SRS 79O7855J4G
Guide to Pharmacology 9875
PubChem 50902259
SureChEMBL SCHEMBL3702088
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