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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	CHEMBL3663502
Molecular formula	C25H23N7O
IUPAC name	(6-methyl-3-pyrimidin-2-ylpyridin-2-yl)-[2-(quinoxalin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight	437.507
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.1
Synonyms	US9062078, 208 BDBM164078 SCHEMBL16040205
Inchi Key	BOIVPFOYSUFNKD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H23N7O/c1-15-7-9-17(24-26-11-4-12-27-24)23(29-15)25(33)32-16-8-10-21(32)20(13-16)31-22-14-28-18-5-2-3-6-19(18)30-22/h2-7,9,11-12,14,16,20-21H,8,10,13H2,1H3,(H,30,31)
PubChem CID	90411872
ChEMBL	CHEMBL3663502
IUPHAR	N/A
BindingDB	164078
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
466460	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
517468	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
466459	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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