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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	CHEMBL423239
Molecular formula	C18H20N4O4
IUPAC name	4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzoic acid
Molecular weight	356.382
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.8
Synonyms	4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzoic acid BW A-1433U A1433U 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzoic acid Benzoic acid, 4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)- BW A1433U AC1L3TX7 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-benzoic acid BW 1433U 94781-78-9 BWA-1433U BDBM50018151 [ Show all ]
Inchi Key	DNQSBNFCLWHHHQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H,24,25)
PubChem CID	122071
ChEMBL	CHEMBL423239
IUPHAR	N/A
BindingDB	50018151
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
64586	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
64587	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
64588	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
64585	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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