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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	CHEMBL3902976
Molecular formula	C24H29FN6O2
IUPAC name	4-[1-[6-acetyl-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]piperidin-4-yl]oxy-3-fluorobenzonitrile
Molecular weight	452.534
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.8
Synonyms	BDBM190896 BNLZKWDQCXRTAO-UHFFFAOYSA-N SCHEMBL16818226 4-((1-(6-acetyl-3-(isopropylamino)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-2-yl)piperidin-4-yl)oxy)-3-fluorobenzonitrile US9181249, 7
Inchi Key	BNLZKWDQCXRTAO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29FN6O2/c1-15(2)27-23-24(29-20-8-11-31(16(3)32)14-21(20)28-23)30-9-6-18(7-10-30)33-22-5-4-17(13-26)12-19(22)25/h4-5,12,15,18H,6-11,14H2,1-3H3,(H,27,28)
PubChem CID	118159242
ChEMBL	CHEMBL3902976
IUPHAR	N/A
BindingDB	190896
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
517462	G-protein coupled receptor 6	P46095	GPR6	Homo sapiens (Human)	362

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