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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	CHEMBL3940225
Molecular formula	C23H27F4N5O2
IUPAC name	1-[3-(2,2-difluoroethylamino)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
Molecular weight	481.496
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	3.6
Synonyms	1-(3-(2,2-difluoroethylamino)-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethanone US9181249, 29 BDBM190918 DEVKCOJYOBVAJW-UHFFFAOYSA-N 1-(3-(2,2-difluoroethylamino)-2-(4-(2,4-difluorophenoxyl)piperidin-1-yl)-5-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethanone SCHEMBL16818096 [ Show all ]
Inchi Key	DEVKCOJYOBVAJW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27F4N5O2/c1-13-21-18(7-10-32(13)14(2)33)29-23(22(30-21)28-12-20(26)27)31-8-5-16(6-9-31)34-19-4-3-15(24)11-17(19)25/h3-4,11,13,16,20H,5-10,12H2,1-2H3,(H,28,30)
PubChem CID	118159119
ChEMBL	CHEMBL3940225
IUPHAR	N/A
BindingDB	190918
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
537414	G-protein coupled receptor 6	P46095	GPR6	Homo sapiens (Human)	362

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