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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	CHEMBL417654
Molecular formula	C10H14N4O2
IUPAC name	1,7-dimethyl-3-propylpurine-2,6-dione
Molecular weight	222.248
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.8
Synonyms	7464-76-8 NSC400033 1,7-Dimethyl-3-propyl-3,7-dihydro-purine-2,6-dione DTXSID60321920 3-Propyl-1,7-dimethylxanthine AC1L7YR8 Paraxanthine, n-propyl derivative 1,7-dimethyl-3-propylpurine-2,6-dione NSC-400033 BDBM50001497 ZINC12405449 DHYGGYFMXYRIGJ-UHFFFAOYSA-N 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-3-propyl- [ Show all ]
Inchi Key	DHYGGYFMXYRIGJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H14N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h6H,4-5H2,1-3H3
PubChem CID	343627
ChEMBL	CHEMBL417654
IUPHAR	N/A
BindingDB	50001497
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
60477	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
60478	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
60476	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
60479	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412

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