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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	CHEMBL3663517
Molecular formula	C20H19F3N8O
IUPAC name	[6-methyl-3-(triazol-2-yl)pyridin-2-yl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight	444.422
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	3.0
Synonyms	US9062078, 228 BDBM164098 SCHEMBL16040466 US9062078, 223 BDBM164093
Inchi Key	APHKMEWYYNAEKH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)
PubChem CID	90412063
ChEMBL	CHEMBL3663517
IUPHAR	N/A
BindingDB	164093, 164098
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
517375	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
464230	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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