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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	CHEMBL3691815
Molecular formula	C24H21F3N4O3
IUPAC name	(4-methoxy-2-pyrimidin-2-ylphenyl)-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight	470.452
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	3.8
Synonyms	US8969352, 12 BDBM143751 SCHEMBL16044257
Inchi Key	DSTQNGFYZOHDRW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H21F3N4O3/c1-33-16-4-5-17(18(11-16)22-28-7-2-8-29-22)23(32)31-13-14-9-19(31)20(10-14)34-21-6-3-15(12-30-21)24(25,26)27/h2-8,11-12,14,19-20H,9-10,13H2,1H3
PubChem CID	86271788
ChEMBL	CHEMBL3691815
IUPHAR	N/A
BindingDB	143751
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
471320	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
517666	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
471319	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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