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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	CHEMBL3663490
Molecular formula	C21H19F3N6O
IUPAC name	[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight	428.419
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.0
Synonyms	US9062078, 196 BDBM164066 SCHEMBL16081453
Inchi Key	AORXOPBYJPVESQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H19F3N6O/c22-21(23,24)13-5-8-19(25-12-13)28-16-11-14-6-7-18(16)29(14)20(31)15-3-1-2-4-17(15)30-26-9-10-27-30/h1-5,8-10,12,14,16,18H,6-7,11H2,(H,25,28)
PubChem CID	90445454
ChEMBL	CHEMBL3663490
IUPHAR	N/A
BindingDB	164066
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
464172	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
517373	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
464173	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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