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Ligand

NameCHEMBL468551
Molecular formulaC28H24F5N3O3
IUPAC name3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
Molecular weight545.51
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.5
SynonymsSCHEMBL1643197
3-[2(R)-amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-pyrimidine-2,4(1H,3H)-dione
AEOBYHAZFRJFPZ-QFIPXVFZSA-N
3-((R)-2-amino-2-phenyl-ethyl)-5-(2-fluoro-3-methoxy-phenyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1H-pyrimidine-2,4-dione
ZINC44404439
[ Show all ]
Inchi KeyAEOBYHAZFRJFPZ-QFIPXVFZSA-N
Inchi IDInChI=1S/C28H24F5N3O3/c1-16-24(18-10-6-13-23(39-2)25(18)30)26(37)36(15-22(34)17-8-4-3-5-9-17)27(38)35(16)14-19-20(28(31,32)33)11-7-12-21(19)29/h3-13,22H,14-15,34H2,1-2H3/t22-/m0/s1
PubChem CID11421412
ChEMBLCHEMBL468551
IUPHARN/A
BindingDB50261243
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
3671Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328
3672Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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