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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	CHEMBL63944
Molecular formula	C13H12N4O2
IUPAC name	1-benzyl-3-methyl-7H-purine-2,6-dione
Molecular weight	256.265
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.5
Synonyms	120642-81-1 D0D9YL ACMC-20mp1i SCHEMBL7453870 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(phenylmethyl)- DTXSID50473801 BDBM50113235 1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione CTK0C3768 phenyltheophylline [ Show all ]
Inchi Key	YAYRUHPCXIPTID-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H12N4O2/c1-16-11-10(14-8-15-11)12(18)17(13(16)19)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)
PubChem CID	11821203
ChEMBL	CHEMBL63944
IUPHAR	N/A
BindingDB	50113235
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
405675	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
405672	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
405673	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
405674	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
405671	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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