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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	CHEMBL3663420
Molecular formula	C21H19F2N5O2
IUPAC name	[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-fluoro-2-(triazol-2-yl)phenyl]methanone
Molecular weight	411.413
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.5
Synonyms	US9062078, 116 BDBM163985 SCHEMBL16042782
Inchi Key	AQEFZGZFUWLAFX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H19F2N5O2/c22-14-1-4-17(19(10-14)28-25-7-8-26-28)21(29)27-16-3-5-18(27)13(9-16)12-30-20-6-2-15(23)11-24-20/h1-2,4,6-8,10-11,13,16,18H,3,5,9,12H2
PubChem CID	90413888
ChEMBL	CHEMBL3663420
IUPHAR	N/A
BindingDB	163985
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
464287	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
517380	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
464288	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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