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Ligand

NameBDBM9488
Molecular formulaC19H19F3N6O2
IUPAC name(4aR,7aS)-2-amino-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
Molecular weight420.396
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP1.3
Synonyms(2e,4ar,7as)-7a-(2,4-Difluorophenyl)-6-(5-Fluoro-4-Methoxy-6-Methylpyrimidin-2-Yl)-2-Imino-3-Methyloctahydro-4h-Pyrrolo[3,4-D]pyrimidin-4-One
SCHEMBL12599638
CHEMBL3640290
1,2,3,4,4abeta,5,7,7abeta-Octahydro-2-imino-3-methyl-4-oxo-6-(4-methyl-6-methoxy-5-fluoropyrimidine-2-yl)-7a-(2,4-difluorophenyl)-6H-pyrrolo[3,4-d]pyrimidine
US8541427, 1
[ Show all ]
Inchi KeyFNMJFZYRSQTKIH-HXPMCKFVSA-N
Inchi IDInChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-5-4-10(20)6-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1
PubChem CID44467360
ChEMBLCHEMBL3640290
IUPHARN/A
BindingDB9488
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523952Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
523953Motilin receptorO43193MLNRHomo sapiens (Human)412

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