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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	CHEMBL131275
Molecular formula	C13H20N4O2
IUPAC name	7-butyl-1-methyl-3-propylpurine-2,6-dione
Molecular weight	264.329
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.6
Synonyms	ZINC1893708 1-methyl-3-propyl-7-butylxanthine BDBM50001501 L015783 XT-77 7-Butyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-dione [ Show all ]
Inchi Key	LNKWJWFCKHPEGK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H20N4O2/c1-4-6-8-16-9-14-11-10(16)12(18)15(3)13(19)17(11)7-5-2/h9H,4-8H2,1-3H3
PubChem CID	10400587
ChEMBL	CHEMBL131275
IUPHAR	N/A
BindingDB	50001501
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
191799	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
191800	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
191801	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412

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