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Ligand

NameCHEMBL521964
Molecular formulaC23H31F3O6
IUPAC name(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]butoxy]cyclopentyl]hept-5-enoic acid
Molecular weight460.49
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP3.0
SynonymsBDBM50247863
5Z-(9S,11R,15R)-13-Oxa-17-(3-trifluoromethyl)phenyl-9,11,15-trihydroxy-18,19,20-trinor-5-prostadienoic acid
Inchi KeyXLSNJVCYRKKOFS-AGDVZXGHSA-N
Inchi IDInChI=1S/C23H31F3O6/c24-23(25,26)16-7-5-6-15(12-16)10-11-17(27)14-32-22-18(19(28)13-20(22)29)8-3-1-2-4-9-21(30)31/h1,3,5-7,12,17-20,22,27-29H,2,4,8-11,13-14H2,(H,30,31)/b3-1-/t17-,18+,19+,20-,22-/m1/s1
PubChem CID44564468
ChEMBLCHEMBL521964
IUPHARN/A
BindingDB50247863
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
395156Prostaglandin F2-alpha receptorP43117PtgfrMus musculus (Mouse)366
395157Prostaglandin F2-alpha receptorP37289PTGFRBos taurus (Bovine)362

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