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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	CHEMBL3827331
Molecular formula	C30H46N6O3
IUPAC name	1,3-dibutyl-9-[2-[4-[2-(diethylamino)ethoxy]phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight	538.737
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.3
Synonyms	BDBM50187591
Inchi Key	PCGDFXCJWKWRNP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H46N6O3/c1-5-9-18-35-27-26(28(37)36(30(35)38)19-10-6-2)34-20-11-17-33(29(34)31-27)21-16-24-12-14-25(15-13-24)39-23-22-32(7-3)8-4/h12-15H,5-11,16-23H2,1-4H3
PubChem CID	127043828
ChEMBL	CHEMBL3827331
IUPHAR	N/A
BindingDB	50187591
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
528862	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
528864	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
528866	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
528868	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
528863	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
528865	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
528861	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
528867	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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