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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	CHEMBL26979
Molecular formula	C18H20N4O5
IUPAC name	1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
Molecular weight	372.381
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.8
Synonyms	(e)-1,3-dimethyl-8-(3,4,5-trimethoxystyryl)xanthine 147700-34-3 SCHEMBL7732165 1,3-Dimethyl-8-(3,4,5-trimethoxystyryl)xanthine BDBM50006716 1,3-Dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]xanthine (E)-8-(3,4,5-Trimethoxystyryl)theophylline hemihydrate 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-, hydrate (2:1) 1,3-Dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3,7-dihydro-1H-purine-2,6-dione # BPIQNFNKBYWCNB-VOTSOKGWSA-N 1,3-Dimethyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione LS-126957 1,2,3,6-Tetrahydropurin-2,6-dione, 1,3-dimethyl-8-[2- AC1NTESJ 1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione [ Show all ]
Inchi Key	BPIQNFNKBYWCNB-VOTSOKGWSA-N
Inchi ID	InChI=1S/C18H20N4O5/c1-21-16-14(17(23)22(2)18(21)24)19-13(20-16)7-6-10-8-11(25-3)15(27-5)12(9-10)26-4/h6-9H,1-5H3,(H,19,20)/b7-6+
PubChem CID	5379539
ChEMBL	CHEMBL26979
IUPHAR	N/A
BindingDB	N/A
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
29617	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
29618	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326

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