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Ligand

NameUNII-XO355X0D3B
Molecular formulaC23H26F3NO4S
IUPAC name5-[3-[(2S)-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylic acid
Molecular weight469.519
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.7
SynonymsCHEMBL378376
SCHEMBL625968
5-(3-((2S)-((3R)-Hydroxy-4-(3-trifluoromethylphenyl)butyl)-5-oxopyrrolidin-1-yl)propyl)thiophene-2-carboxylic acid
BDBM50181298
CP-432
[ Show all ]
Inchi KeyJYZXGURJKNAFPT-ZWKOTPCHSA-N
Inchi IDInChI=1S/C23H26F3NO4S/c24-23(25,26)16-4-1-3-15(13-16)14-18(28)8-6-17-7-11-21(29)27(17)12-2-5-19-9-10-20(32-19)22(30)31/h1,3-4,9-10,13,17-18,28H,2,5-8,11-12,14H2,(H,30,31)/t17-,18+/m0/s1
PubChem CID9934368
ChEMBLCHEMBL378376
IUPHARN/A
BindingDB50181298
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
163521Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
163522Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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