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Ligand

NameCHEMBL116074
Molecular formulaC30H30F3N3O3
IUPAC name1-[(2,6-difluorophenyl)methyl]-3-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
Molecular weight537.583
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.2
SynonymsBDBM50149256
1-(2,6-Difluoro-benzyl)-3-((S)-2-dimethylamino-3-phenyl-propyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
Inchi KeyAMCFOVGLNPCZBV-NRFANRHFSA-N
Inchi IDInChI=1S/C30H30F3N3O3/c1-19-27(22-12-8-15-26(39-4)28(22)33)29(37)36(17-21(34(2)3)16-20-10-6-5-7-11-20)30(38)35(19)18-23-24(31)13-9-14-25(23)32/h5-15,21H,16-18H2,1-4H3/t21-/m0/s1
PubChem CID11387100
ChEMBLCHEMBL116074
IUPHARN/A
BindingDB50149256
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8740Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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