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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	(E)-1,3-Dibutyl-8-(3,4,5-trimethoxystyryl)xanthine
Molecular formula	C24H32N4O5
IUPAC name	1,3-dibutyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
Molecular weight	456.543
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.3
Synonyms	AC1O68CQ 1,3-dibutyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione CHEMBL74368 142665-37-0 SCHEMBL7732171 (E)-1,3-Dibutyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione BDBM50006717 1,3-Dibutyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]xanthine LS-126680 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)- 1,3-Dibutyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione SCHEMBL7732167 [ Show all ]
Inchi Key	CEEBLJIHWMIBSN-ZHACJKMWSA-N
Inchi ID	InChI=1S/C24H32N4O5/c1-6-8-12-27-22-20(23(29)28(24(27)30)13-9-7-2)25-19(26-22)11-10-16-14-17(31-3)21(33-5)18(15-16)32-4/h10-11,14-15H,6-9,12-13H2,1-5H3,(H,25,26)/b11-10+
PubChem CID	6448606
ChEMBL	CHEMBL74368
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
39817	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326

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