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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	CHEMBL343527
Molecular formula	C18H14N4O4
IUPAC name	8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione
Molecular weight	350.334
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.8
Synonyms	BDBM50061944 8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3-methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione 8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1-propargyl-3-methylxanthine
Inchi Key	ADESTIQKKYKDKN-FNORWQNLSA-N
Inchi ID	InChI=1S/C18H14N4O4/c1-3-8-22-17(23)15-16(21(2)18(22)24)20-14(19-15)7-5-11-4-6-12-13(9-11)26-10-25-12/h1,4-7,9H,8,10H2,2H3,(H,19,20)/b7-5+
PubChem CID	10617821
ChEMBL	CHEMBL343527
IUPHAR	N/A
BindingDB	N/A
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
2179	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
2180	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410

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