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Ligand

NameCHEMBL3911081
Molecular formulaC25H29F2NO4S
IUPAC namemethyl 5-[3-[(5R)-3,3-difluoro-5-[(E,3S,4S)-3-hydroxy-4-methyl-5-phenylpent-1-enyl]-2-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate
Molecular weight477.567
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.2
SynonymsSCHEMBL15587056
US9180116, 36A
BDBM190284
Inchi KeyBCRHPIFEIDKGNM-YAZIDRQLSA-N
Inchi IDInChI=1S/C25H29F2NO4S/c1-17(15-18-7-4-3-5-8-18)21(29)12-10-19-16-25(26,27)24(31)28(19)14-6-9-20-11-13-22(33-20)23(30)32-2/h3-5,7-8,10-13,17,19,21,29H,6,9,14-16H2,1-2H3/b12-10+/t17-,19-,21+/m0/s1
PubChem CID90054462
ChEMBLCHEMBL3911081
IUPHARN/A
BindingDB190284
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
517431Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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