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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	CHEMBL3691847
Molecular formula	C21H20F3N7O
IUPAC name	[6-methyl-3-(triazol-2-yl)pyridin-2-yl]-[6-[[5-(trifluoromethyl)pyridin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight	443.434
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.5
Synonyms	BDBM143793 SCHEMBL16091969 US8969352, 54
Inchi Key	DUSWDGIUZGEZMC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20F3N7O/c1-12-2-4-16(31-26-6-7-27-31)19(28-12)20(32)30-11-13-8-15(17(30)9-13)29-18-5-3-14(10-25-18)21(22,23)24/h2-7,10,13,15,17H,8-9,11H2,1H3,(H,25,29)
PubChem CID	86270753
ChEMBL	CHEMBL3691847
IUPHAR	N/A
BindingDB	143793
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
471482	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
517669	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
471483	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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