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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)-8-(2,4-Dimethoxystyryl)-1,3-diethyl-7-methylxanthine
Molecular formula	C20H24N4O4
IUPAC name	8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
Molecular weight	384.436
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.5
Synonyms	155271-03-7 CHEMBL73827 8-[(E)-2-(2,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione SCHEMBL7313967 BDBM50290172 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,4-dimethoxyphenyl)ethenyl)-7-methyl-, (E)- LS-126707 8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione SCHEMBL7313952 AC1O68NR [ Show all ]
Inchi Key	ATDDLHWKZVKABJ-PKNBQFBNSA-N
Inchi ID	InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)12-15(13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
PubChem CID	6448854
ChEMBL	CHEMBL73827
IUPHAR	N/A
BindingDB	50290172
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
13833	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
13834	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410

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