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Ligand

NameCHEMBL506877
Molecular formulaC31H30F3N3O5
IUPAC name4-[[(1R)-2-[3-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
Molecular weight581.592
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP1.8
SynonymsBDBM50274929
(R)-4-{2-[5-(2-Fluoro-3-methoxyphenyl)-3-(2,6-difluorobenzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyric Acid
Inchi KeyAXGALHYEZXVPRS-VWLOTQADSA-N
Inchi IDInChI=1S/C31H30F3N3O5/c1-19-28(21-11-6-14-26(42-2)29(21)34)30(40)37(31(41)36(19)17-22-23(32)12-7-13-24(22)33)18-25(20-9-4-3-5-10-20)35-16-8-15-27(38)39/h3-7,9-14,25,35H,8,15-18H2,1-2H3,(H,38,39)/t25-/m0/s1
PubChem CID25156400
ChEMBLCHEMBL506877
IUPHARN/A
BindingDB50274929
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16672Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328
16673Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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