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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	CHEMBL3950698
Molecular formula	C26H31FN6O2
IUPAC name	4-[1-[6-(cyclopropanecarbonyl)-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxy-3-fluorobenzonitrile
Molecular weight	478.572
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.3
Synonyms	AUPDVTRYLMDISN-UHFFFAOYSA-N BDBM190909 SCHEMBL16818287 4-((1-(6-(cyclopropanecarbonyl)-2-(isopropylamino)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-yl)piperidin-4-yl)oxy)-3-fluorobenzonitrile US9181249, 20
Inchi Key	AUPDVTRYLMDISN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H31FN6O2/c1-16(2)29-24-25(31-22-15-33(12-9-21(22)30-24)26(34)18-4-5-18)32-10-7-19(8-11-32)35-23-6-3-17(14-28)13-20(23)27/h3,6,13,16,18-19H,4-5,7-12,15H2,1-2H3,(H,29,30)
PubChem CID	118159302
ChEMBL	CHEMBL3950698
IUPHAR	N/A
BindingDB	190909
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
517393	G-protein coupled receptor 6	P46095	GPR6	Homo sapiens (Human)	362

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