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Ligand

NameCHEMBL363439
Molecular formulaC23H29F3O6
IUPAC name(Z)-8-[(2R,3S,4R)-4-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]oxolan-3-yl]oct-4-enoic acid
Molecular weight458.474
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.4
Synonyms(Z)-8-{(2R,3S,4R)-4-Hydroxy-2-[(E)-(S)-3-hydroxy-4-(3-trifluoromethyl-phenoxy)-but-1-enyl]-tetrahydro-furan-3-yl}-oct-4-enoic acid
BDBM50150893
Inchi KeyYSNMVDVQOSTSDX-ONFDZLJGSA-N
Inchi IDInChI=1S/C23H29F3O6/c24-23(25,26)16-7-6-8-18(13-16)31-14-17(27)11-12-21-19(20(28)15-32-21)9-4-2-1-3-5-10-22(29)30/h1,3,6-8,11-13,17,19-21,27-28H,2,4-5,9-10,14-15H2,(H,29,30)/b3-1-,12-11+/t17-,19-,20-,21+/m0/s1
PubChem CID44393457
ChEMBLCHEMBL363439
IUPHARN/A
BindingDB50150893
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
418200Prostaglandin F2-alpha receptorP37289PTGFRBos taurus (Bovine)362
418201Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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