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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	CHEMBL3669039
Molecular formula	C20H19F4N7O
IUPAC name	[5-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
Molecular weight	449.414
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	3.2
Synonyms	US9115117, 90 BDBM175188 SCHEMBL16031139
Inchi Key	FSJKTNCHWPGSBK-SWLSCSKDSA-N
Inchi ID	InChI=1S/C20H19F4N7O/c1-12-15(29-18-11-25-17(10-26-18)20(22,23)24)3-2-8-30(12)19(32)14-9-13(21)4-5-16(14)31-27-6-7-28-31/h4-7,9-12,15H,2-3,8H2,1H3,(H,26,29)/t12-,15+/m0/s1
PubChem CID	86271959
ChEMBL	CHEMBL3669039
IUPHAR	N/A
BindingDB	175188
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
473547	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
517763	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
473546	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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