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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	CHEMBL3966731
Molecular formula	C27H36F2N6O2
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]-[(2S)-1-methylpyrrolidin-2-yl]methanone
Molecular weight	514.622
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.8
Synonyms	US9181249, 22 BDBM190911 FOEDAKAYIRFINY-QHCPKHFHSA-N 2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-3-(isopropylamino)-6-(methyl-L-prolyl)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine SCHEMBL16818119 2-(4-(2,4-difluorophenoxyl)piperidin-1-yl)-3-(isopropylamino)-6-(methyl-L-prolyl)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine [ Show all ]
Inchi Key	FOEDAKAYIRFINY-QHCPKHFHSA-N
Inchi ID	InChI=1S/C27H36F2N6O2/c1-17(2)30-25-26(34-12-8-19(9-13-34)37-24-7-6-18(28)15-20(24)29)32-21-10-14-35(16-22(21)31-25)27(36)23-5-4-11-33(23)3/h6-7,15,17,19,23H,4-5,8-14,16H2,1-3H3,(H,30,31)/t23-/m0/s1
PubChem CID	118159140
ChEMBL	CHEMBL3966731
IUPHAR	N/A
BindingDB	190911
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
538045	G-protein coupled receptor 6	P46095	GPR6	Homo sapiens (Human)	362

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