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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	CHEMBL3977337
Molecular formula	C24H25N3O3
IUPAC name	(3-ethoxyisoquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight	403.482
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.2
Synonyms	US9475819, 164 BDBM64946 SCHEMBL16039385
Inchi Key	DQXRZOLGSQYVPN-NSHGMRRFSA-N
Inchi ID	InChI=1S/C24H25N3O3/c1-2-29-23-22(19-8-4-3-7-16(19)14-26-23)24(28)27-18-10-11-20(27)17(13-18)15-30-21-9-5-6-12-25-21/h3-9,12,14,17-18,20H,2,10-11,13,15H2,1H3/t17-,18+,20-/m0/s1
PubChem CID	90411329
ChEMBL	CHEMBL3977337
IUPHAR	N/A
BindingDB	64946
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
537621	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
537623	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
537622	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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