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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	CHEMBL3902681
Molecular formula	C25H28F2N6O3
IUPAC name	[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]-(1,2-oxazol-5-yl)methanone
Molecular weight	498.535
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	3.6
Synonyms	(2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)(isoxazol-5-yl)methanone US9181249, 18 BDBM190907 DFRPGOORGHJXGT-UHFFFAOYSA-N (2-(4-(2,4-difluorophenoxyl)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)(isoxazol-5-yl)methanone SCHEMBL16818305 [ Show all ]
Inchi Key	DFRPGOORGHJXGT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H28F2N6O3/c1-15(2)29-23-24(32-10-6-17(7-11-32)35-21-4-3-16(26)13-18(21)27)31-19-8-12-33(14-20(19)30-23)25(34)22-5-9-28-36-22/h3-5,9,13,15,17H,6-8,10-12,14H2,1-2H3,(H,29,30)
PubChem CID	118159320
ChEMBL	CHEMBL3902681
IUPHAR	N/A
BindingDB	190907
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
517617	G-protein coupled receptor 6	P46095	GPR6	Homo sapiens (Human)	362

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