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Ligand

NameSepetaprost
Molecular formulaC26H36F2O6
IUPAC namepropan-2-yl 4-[(3S,5aR,6R,7R,8aS)-6-[(E,3R)-4-(2,5-difluorophenoxy)-3-hydroxybut-1-enyl]-7-hydroxy-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate
Molecular weight482.565
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.8
SynonymsGTPL9875
2-Propanyl 4-((3S,5aR,6R,7R,8aS)-6-((1E,3R)-4-(2,5-difluorophenoxy)-3-hydroxy-1-buten-1-7-hydroxyoctahydro-2H-cyclopenta(b)oxepin-3-yl)butanoate
propan-2-yl 4-[(3S,5aR,6R,7R,8aS)-6-[(E,3R)-4-(2,5-difluorophenoxy)-3-hydroxybut-1-enyl]-7-hydroxy-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate
2H-Cyclopent(b)oxepin-3-butanoic acid, 6-((1E,3R)-4-(2,5-difluorophenoxy)-3-hydroxy-1-buten-1-yl)octahydro-7-hydroxy-, 1-methylethyl ester, (3S,5aR,6R,7R,8aS)-
Sepetaprost [INN]
[ Show all ]
Inchi KeyBKVUSNOUTQMSBE-XCMGCKIWSA-N
Inchi IDInChI=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
PubChem CID50902259
ChEMBLN/A
IUPHAR9875
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
553390Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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