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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	830-65-9
Molecular formula	C8H10N4O2
IUPAC name	1,3,8-trimethyl-7H-purine-2,6-dione
Molecular weight	194.194
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.4
Synonyms	AX8226745 FCH1191976 SCHEMBL12900061 Z56785048 1,3,8-trimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione 1H-Purine-2,6-dione, 3,7-dihydro-1,3,8-trimethyl- 8-Methyltheophylline AC1Q6LAN CHEMBL89062 MolPort-002-511-913 WLN: T56 BM DN FNVNVJ C1 F1 H1 1,3,8-trimethyl-3,9-dihydro-1h-purine-2,6-dione 2829AC AKOS016006781 D08GLJ NSC-14289 Xanthine, 1,3,8-trimethyl- (8CI) 1,8-Trimethyl-2,6-dioxopurine 8-Methyltheophyline BDBM50020853 LS-149620 SCHEMBL461786 ZINC6962421 1,3,8-Trimethyl-2,6-dioxopurine 1H-Purine-2,6-dione, 3,7-dihydro-1,3,8-trimethyl- (9CI) AJ-57061 CTK8C1834 MolPort-009-216-772 WZBKGWBHAPBSBF-UHFFFAOYSA-N 1,3,8-trimethyl-7H-purine-2,6-dione 3,7-Dihydro-1,3,8-trimethyl-1H-purine-2,6-dione ANW-67337 DTXSID10232118 NSC14289 Xanthine,3,8-trimethyl- 1,3,8-Trimethyl-1H-purine-2,6(3H,7H)-dione 1H-Purine-2, 3,7-dihydro-1,3,8-trimethyl- 8-methyltheophyllin MCULE-4413041944 Theophylline, 8-methyl- 1,3,8-Trimethyl-3,7-dihydro-purine-2,6-dione 1H-Purine-2,6-dione, 3,9-dihydro-1,3,8-trimethyl- AC1L3TFC AKOS001036118 CTK8D7743 NSC 14289 Xanthine, 1,3,8-trimethyl- 1,3,8-trimethylxanthine [ Show all ]
Inchi Key	WZBKGWBHAPBSBF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H10N4O2/c1-4-9-5-6(10-4)11(2)8(14)12(3)7(5)13/h1-3H3,(H,9,10)
PubChem CID	95030
ChEMBL	CHEMBL89062
IUPHAR	N/A
BindingDB	50020853
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
385962	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
385963	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
385964	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409

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