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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	FILOREXANT
Molecular formula	C24H25FN4O2
IUPAC name	[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
Molecular weight	420.488
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.9
Synonyms	D10345 Filorexant(mk-6096) MK-6096; Filorexant ZINC43201232 BDBM104692 E6BTT8VA5Z HY-15653 SB16995 CS-4437 Filorexant (USAN) MK 6096 US8569311, E-5 AKOS027323764 DB12158 FT-0772655 MK6096 [(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone EX-A2101 Methanone, ((2R,5R)-5-(((5-fluoro-2-pyridinyl)oxy)methyl)-2-methyl-1-piperidinyl)(5-methyl-2-(2-pyrimidinyl)phenyl)- SCHEMBL1716633 1088991-73-4 D0NN5A Filorexant [USAN:INN] MK-6096 Y1891 BC600579 DTXSID50148764 GTPL4460 NCGC00484077-01 ((2R,5R)-5-(((5-Fluoropyridin-2-yl)oxy)methyl)-2-methylpiperidin-1-yl)(5-methyl-2-(pyrimidin-2-yl)phenyl)methanone CHEMBL2107822 Methanone, [(2R,5R)-5-[[(5-fluoro-2-pyridinyl)oxy]methyl]-2-methyl-1-piperidinyl][5-methyl-2-(2-pyrimidinyl)phenyl]- UNII-E6BTT8VA5Z [ Show all ]
Inchi Key	NPFDWHQSDBWQLH-QZTJIDSGSA-N
Inchi ID	InChI=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 CID	25128145
ChEMBL	CHEMBL2107822
IUPHAR	4460
BindingDB	104692
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
228864	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
228867	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
228865	Orexin receptor type 2	P56719	Hcrtr2	Rattus norvegicus (Rat)	460
228866	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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