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Ligand

NameCHEMBL417171
Molecular formulaC21H26F3NO4
IUPAC name7-[(2R)-2-[(E)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
Molecular weight413.437
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.1
Synonyms7-{(R)-2-[(E)-3-Hydroxy-3-(3-trifluoromethyl-phenyl)-propenyl]-5-oxo-pyrrolidin-1-yl}-heptanoic acid
BDBM50142479
SCHEMBL5733260
Inchi KeyALOFPCCPHHKNFS-UFNCHRQHSA-N
Inchi IDInChI=1S/C21H26F3NO4/c22-21(23,24)16-7-5-6-15(14-16)18(26)11-9-17-10-12-19(27)25(17)13-4-2-1-3-8-20(28)29/h5-7,9,11,14,17-18,26H,1-4,8,10,12-13H2,(H,28,29)/b11-9+/t17-,18?/m0/s1
PubChem CID44289977
ChEMBLCHEMBL417171
IUPHARN/A
BindingDB50142479
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8448Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
8447Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
8446Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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