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Ligand

NameCHEMBL115965
Molecular formulaC26H30F3N3O3
IUPAC name3-[(2R)-2-amino-4,4-dimethylpentyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
Molecular weight489.539
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50149249
3-((R)-2-Amino-4,4-dimethyl-pentyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
Inchi KeyBLEIPVXIKXIBNC-MRXNPFEDSA-N
Inchi IDInChI=1S/C26H30F3N3O3/c1-15-22(17-8-6-11-21(35-5)23(17)29)24(33)32(13-16(30)12-26(2,3)4)25(34)31(15)14-18-19(27)9-7-10-20(18)28/h6-11,16H,12-14,30H2,1-5H3/t16-/m1/s1
PubChem CID11363829
ChEMBLCHEMBL115965
IUPHARN/A
BindingDB50149249
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26465Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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