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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	CHEMBL3663527
Molecular formula	C22H18F4N6O
IUPAC name	(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight	458.421
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	3.0
Synonyms	SCHEMBL16081377 US9062078, 243 BDBM164113
Inchi Key	FIOLWNKABYNAOW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H18F4N6O/c23-12-2-4-14(20-27-6-1-7-28-20)15(8-12)21(33)32-13-3-5-17(32)16(9-13)31-19-11-29-18(10-30-19)22(24,25)26/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2,(H,30,31)
PubChem CID	90445380
ChEMBL	CHEMBL3663527
IUPHAR	N/A
BindingDB	164113
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
472664	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
517720	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
472665	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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