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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	CHEMBL3663562
Molecular formula	C22H21FN6O
IUPAC name	(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[(5-methylpyrazin-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight	404.449
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.5
Synonyms	US9062078, 278 BDBM164148 SCHEMBL16081407
Inchi Key	CQQJGVKIPSBGSA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21FN6O/c1-13-11-27-19(12-26-13)28-17-10-14-6-7-18(17)29(14)22(30)15-4-2-5-16(23)20(15)21-24-8-3-9-25-21/h2-5,8-9,11-12,14,17-18H,6-7,10H2,1H3,(H,27,28)
PubChem CID	90445410
ChEMBL	CHEMBL3663562
IUPHAR	N/A
BindingDB	164148
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
468872	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
517554	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
468871	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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