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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	CHEMBL444281
Molecular formula	C25H27N5O5
IUPAC name	2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N-(4-hydroxyphenyl)acetamide
Molecular weight	477.521
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.8
Synonyms	2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-hydroxy-phenyl)-acetamide Xanthine, 1,3-dipropyl-8-[4-[[(4-hydroxy)phenylamino]carbonyl]methoxyphenyl]- BDBM50021085 2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxy]-N-(4-hydroxyphenyl)acetamide # N-(4-Hydroxyphenyl)-2-[4-(1,3-dipropyl-2,6-dioxo-3,7-dihydro-1H-purine-8-yl)phenoxy]acetamide AC1LBT56 2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-hydroxy-phenyl)-acetamide 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N-(4-hydroxyphenyl)acetamide Xanthatin, 1,3-dipropyl-8-[4-[[(4-hydroxy)phenylamino]carbonyl]methoxyphenyl]- AOXCQJMAPNFAQR-UHFFFAOYSA-N [ Show all ]
Inchi Key	AOXCQJMAPNFAQR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H27N5O5/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)35-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)
PubChem CID	541759
ChEMBL	CHEMBL444281
IUPHAR	N/A
BindingDB	50021085
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
10667	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
10666	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
10665	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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