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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	CHEMBL3663426
Molecular formula	C24H23FN4O2
IUPAC name	[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(4-methyl-2-pyrimidin-2-ylphenyl)methanone
Molecular weight	418.472
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.7
Synonyms	BDBM163991 SCHEMBL16040612 US9062078, 122
Inchi Key	AWFBWQSVKFITPK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23FN4O2/c1-15-3-6-19(20(11-15)23-26-9-2-10-27-23)24(30)29-18-5-7-21(29)16(12-18)14-31-22-8-4-17(25)13-28-22/h2-4,6,8-11,13,16,18,21H,5,7,12,14H2,1H3
PubChem CID	90412175
ChEMBL	CHEMBL3663426
IUPHAR	N/A
BindingDB	163991
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
464840	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
517402	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
464841	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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