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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	CHEMBL16724
Molecular formula	C19H18N4O5
IUPAC name	2-[4-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]phenoxy]acetic acid
Molecular weight	382.376
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.0
Synonyms	2-[4-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]phenoxy]acetic acid Xanthine, 1,3-diallyl-8-[4-carboxymethoxypheny]- BDBM50037435 CZKQVHBXRSZWAF-UHFFFAOYSA-N [4-(1,3-Diallyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid 2-[4-(1,2,3,6-Tetrahydro-2,6-dioxo-1,3-bis(2-propenyl)-7H-purine-8-yl)phenoxy]acetic acid Xanthin, 1,3-diallyl-8-[4-carboxymethoxypheny]- AC1LBTF9 [4-(1,3-Diallyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetic acid # [ Show all ]
Inchi Key	CZKQVHBXRSZWAF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h3-8H,1-2,9-11H2,(H,20,21)(H,24,25)
PubChem CID	541903
ChEMBL	CHEMBL16724
IUPHAR	N/A
BindingDB	50037435
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
54401	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
54403	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
54402	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
54404	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
54399	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
54400	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
54405	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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