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Ligand

NameCHEMBL380839
Molecular formulaC25H28F3NO4
IUPAC name4-[3-[(2S)-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]-5-oxopyrrolidin-1-yl]propyl]benzoic acid
Molecular weight463.497
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50181272
4-(3-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)phenyl)butyl)-5-oxopyrrolidin-1-yl)propyl)benzoic acid
Inchi KeySRSAPNTYWCSITR-FCHUYYIVSA-N
Inchi IDInChI=1S/C25H28F3NO4/c26-25(27,28)20-5-1-3-18(15-20)16-22(30)12-10-21-11-13-23(31)29(21)14-2-4-17-6-8-19(9-7-17)24(32)33/h1,3,5-9,15,21-22,30H,2,4,10-14,16H2,(H,32,33)/t21-,22+/m0/s1
PubChem CID44409920
ChEMBLCHEMBL380839
IUPHARN/A
BindingDB50181272
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
321597Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
321596Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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