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Ligand

NameSC46275
Molecular formulaC25H36O5
IUPAC namemethyl (Z)-7-[(1R,2R,3R)-2-[(1E,4R,5E)-6-(cyclopenten-1-yl)-4-hydroxy-4-methylhexa-1,5-dienyl]-3-hydroxy-5-oxocyclopentyl]hept-4-enoate
Molecular weight416.558
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.8
Synonyms4-Heptenoic acid, 7-((1R,2R,3R)-2-((1E,4R,5E)-6-(1-cyclopenten-1-yl)-4-hydroxy-4-methyl-1,5-hexadien-1-yl)-3-hydroxy-5-oxocyclopentyl)-, methyl ester, (4Z)-rel-
methyl (Z)-7-[(1R,2R,3R)-2-[(1E,4R,5E)-6-(cyclopenten-1-yl)-4-hydroxy-4-methylhexa-1,5-dienyl]-3-hydroxy-5-oxocyclopentyl]hept-4-enoate
CHEMBL49922
SC-46275
137255-19-7
[ Show all ]
Inchi KeyZZVPHCPLTZTOBC-ZNJGPPGCSA-N
Inchi IDInChI=1S/C25H36O5/c1-25(29,17-15-19-10-7-8-11-19)16-9-13-21-20(22(26)18-23(21)27)12-5-3-4-6-14-24(28)30-2/h3-4,9-10,13,15,17,20-21,23,27,29H,5-8,11-12,14,16,18H2,1-2H3/b4-3-,13-9+,17-15+/t20-,21-,23-,25-/m1/s1
PubChem CID5311427
ChEMBLN/A
IUPHAR3331
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
555475Prostaglandin E2 receptor EP3 subtypeP34980Ptger3Rattus norvegicus (Rat)365

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