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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	CHEMBL3663549
Molecular formula	C22H18F4N6O
IUPAC name	(3-fluoro-2-pyrazin-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	2.6
Synonyms	US9062078, 265 BDBM164135 SCHEMBL16081460
Inchi Key	CVFCIDFMYLGEOP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H18F4N6O/c23-14-3-1-2-13(20(14)16-9-27-6-7-28-16)21(33)32-12-4-5-17(32)15(8-12)31-19-11-29-18(10-30-19)22(24,25)26/h1-3,6-7,9-12,15,17H,4-5,8H2,(H,30,31)
PubChem CID	90445461
ChEMBL	CHEMBL3663549
IUPHAR	N/A
BindingDB	164135
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
469251	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
517586	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
469250	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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