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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	KF-17837
Molecular formula	C22H28N4O4
IUPAC name	8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Molecular weight	412.49
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.6
Synonyms	(E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropylxanthine AC1O68AZ LS-126824 CHEMBL27508 SCHEMBL9364001 8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione kf17837 141807-96-7 BDBM50006710 SCHEMBL537085 8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione KF-17387 UQGGPCQNHJCOPS-PKNBQFBNSA-N 8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione; compound with 8-[2-(3,4-dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione L006852 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)- SCHEMBL537086 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione [ Show all ]
Inchi Key	UQGGPCQNHJCOPS-PKNBQFBNSA-N
Inchi ID	InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
PubChem CID	6448585
ChEMBL	CHEMBL27508
IUPHAR	N/A
BindingDB	50006710
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
342852	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
342858	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
342859	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
342853	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
342854	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
342855	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
342857	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
342856	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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