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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	CHEMBL3691850
Molecular formula	C21H18F4N6O
IUPAC name	[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)pyridin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight	446.41
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.9
Synonyms	US8969352, 57 BDBM143796 SCHEMBL16091934
Inchi Key	DMOGSWQIKPEGKH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H18F4N6O/c22-14-2-3-17(31-27-5-6-28-31)15(9-14)20(32)30-11-12-7-16(18(30)8-12)29-19-4-1-13(10-26-19)21(23,24)25/h1-6,9-10,12,16,18H,7-8,11H2,(H,26,29)
PubChem CID	86270842
ChEMBL	CHEMBL3691850
IUPHAR	N/A
BindingDB	143796
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
470776	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
517647	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
470777	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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