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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	CHEMBL3663519
Molecular formula	C22H20F3N7O
IUPAC name	(6-methyl-3-pyrimidin-2-ylpyridin-2-yl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight	455.445
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	3.0
Synonyms	US9062078, 225 BDBM164095 SCHEMBL16041347
Inchi Key	BFAVQUPTEKLHRJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H20F3N7O/c1-12-3-5-15(19-26-7-2-8-27-19)18(30-12)20(33)32-14-4-6-17(32)16(9-14)31-21-28-10-13(11-29-21)22(23,24)25/h2-3,5,7-8,10-11,14,16-17H,4,6,9H2,1H3,(H,28,29,31)
PubChem CID	90412756
ChEMBL	CHEMBL3663519
IUPHAR	N/A
BindingDB	164095
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
517440	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
465622	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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