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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	CHEMBL3663418
Molecular formula	C21H21FN6O3
IUPAC name	[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methoxy-3-(triazol-2-yl)pyridin-2-yl]methanone
Molecular weight	424.436
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.0
Synonyms	US9062078, 114 BDBM163983 SCHEMBL16078029
Inchi Key	CFCHVDPOZYYMPD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21FN6O3/c1-30-19-7-5-17(28-24-8-9-25-28)20(26-19)21(29)27-15-3-4-16(27)13(10-15)12-31-18-6-2-14(22)11-23-18/h2,5-9,11,13,15-16H,3-4,10,12H2,1H3
PubChem CID	90442503
ChEMBL	CHEMBL3663418
IUPHAR	N/A
BindingDB	163983
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
467893	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
517520	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
467892	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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