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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	CHEMBL3121728
Molecular formula	C27H31ClN6O3
IUPAC name	8-[4-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propoxy]phenyl]-1,3-dimethyl-7H-purine-2,6-dione
Molecular weight	523.034
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.6
Synonyms	N/A
Inchi Key	ACDUFNNGCHAONI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H31ClN6O3/c1-31-25-23(26(35)32(2)27(31)36)29-24(30-25)19-8-10-21(11-9-19)37-17-5-12-33-13-15-34(16-14-33)18-20-6-3-4-7-22(20)28/h3-4,6-11H,5,12-18H2,1-2H3,(H,29,30)
PubChem CID	76328910
ChEMBL	CHEMBL3121728
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
1448	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
1449	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
1450	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
441722	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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