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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	Oprea1_100136
Molecular formula	C14H14N4O2
IUPAC name	1,3,7-trimethyl-8-phenylpurine-2,6-dione
Molecular weight	270.292
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.6
Synonyms	8-phenylcaffeine UNII-3IGY251T33 1,3,7-Trimethyl-8-phenylxanthine CHEMBL21053 1,3,7-trimethyl-8-phenyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione BDBM50018171 ZINC12405606 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-phenyl- CTK2A5937 6439-88-9 SCHEMBL4146728 1,3,7-Trimethyl-8-phenyl-3,7-dihydro-purine-2,6-dione 3IGY251T33 DTXSID10485465 [ Show all ]
Inchi Key	MBYIBRUTNFFDFL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3
PubChem CID	12295531
ChEMBL	CHEMBL21053
IUPHAR	N/A
BindingDB	50018171
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
201773	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
201772	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
201774	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409

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