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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	CHEMBL3691837
Molecular formula	C21H18F3N3O2
IUPAC name	1H-indol-7-yl-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight	401.389
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	US8969352, 42 BDBM143781 SCHEMBL16092020
Inchi Key	BHDOEKBJNYFWML-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H18F3N3O2/c22-21(23,24)14-4-5-18(26-10-14)29-17-9-12-8-16(17)27(11-12)20(28)15-3-1-2-13-6-7-25-19(13)15/h1-7,10,12,16-17,25H,8-9,11H2
PubChem CID	86270656
ChEMBL	CHEMBL3691837
IUPHAR	N/A
BindingDB	143781
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
465827	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
517450	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
465828	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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