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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	CHEMBL304455
Molecular formula	C9H8N4O2
IUPAC name	3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione
Molecular weight	204.189
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.1
Synonyms	3-methyl-1-propargylxanthine 1-Propargyl-3-methyl-7H-purine-2,6(1H,3H)-dione 3-Methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione BDBM50042208
Inchi Key	HTCXWSNPZFYUKL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H8N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h1,5H,4H2,2H3,(H,10,11)
PubChem CID	14978313
ChEMBL	CHEMBL304455
IUPHAR	N/A
BindingDB	50042208
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
123341	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
123339	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
123337	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
123338	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
123340	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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