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Ligand

NameElagolix sodium
Molecular formulaC32H29F5N3NaO5
IUPAC namesodium;4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoate
Molecular weight653.582
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogPNone
Synonyms832720-36-2
D09336
HY-14369
sodium (R)-4-((2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethyl)amino)butanoate
AKOS030524154
[ Show all ]
Inchi KeyDQYGXRQUFSRDCH-UQIIZPHYSA-M
Inchi IDInChI=1S/C32H30F5N3O5.Na/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33;/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42);/q;+1/p-1/t25-;/m0./s1
PubChem CID24785956
ChEMBLCHEMBL502182
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
66749Gonadotropin-releasing hormone receptorQ8SPZ1GNRHRMacaca mulatta (Rhesus macaque)59
66750Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328
66751Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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