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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	CHEMBL3663413
Molecular formula	C22H22FN5O3
IUPAC name	[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-methoxy-6-(triazol-2-yl)phenyl]methanone
Molecular weight	423.448
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.4
Synonyms	SCHEMBL16041014 US9062078, 108 BDBM163977
Inchi Key	DFEKQDAZWFHCQK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22FN5O3/c1-30-19-4-2-3-18(28-25-9-10-26-28)21(19)22(29)27-16-6-7-17(27)14(11-16)13-31-20-8-5-15(23)12-24-20/h2-5,8-10,12,14,16-17H,6-7,11,13H2,1H3
PubChem CID	90412492
ChEMBL	CHEMBL3663413
IUPHAR	N/A
BindingDB	163977
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
470147	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
517615	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
470148	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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