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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	CHEMBL17202
Molecular formula	C28H29N5O4
IUPAC name	(E)-N-(2-acetylphenyl)-3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enamide
Molecular weight	499.571
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.5
Synonyms	SCHEMBL7220057 (E)-N-(2-Acetylphenyl)-3-[4-(1,3-dipropyl-2,6-dioxo-3,7-dihydro-1H-purine-8-yl)phenyl]acrylamide BDBM50086181 N-(2-Acetyl-phenyl)-3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylamide
Inchi Key	AAYAXEYKWMOSAT-NTCAYCPXSA-N
Inchi ID	InChI=1S/C28H29N5O4/c1-4-16-32-26-24(27(36)33(17-5-2)28(32)37)30-25(31-26)20-13-10-19(11-14-20)12-15-23(35)29-22-9-7-6-8-21(22)18(3)34/h6-15H,4-5,16-17H2,1-3H3,(H,29,35)(H,30,31)/b15-12+
PubChem CID	9892149
ChEMBL	CHEMBL17202
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
609	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
610	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
608	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
441692	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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