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Ligand

NameFILOREXANT
Molecular formulaC24H25FN4O2
IUPAC name[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
Molecular weight420.488
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.9
SynonymsD10345
Filorexant(mk-6096)
MK-6096; Filorexant
ZINC43201232
BDBM104692
[ Show all ]
Inchi KeyNPFDWHQSDBWQLH-QZTJIDSGSA-N
Inchi IDInChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1
PubChem CID25128145
ChEMBLCHEMBL2107822
IUPHAR4460
BindingDB104692
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
228864Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
228867Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
228865Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460
228866Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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