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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.
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Ligand

Name	Xanthine amine congener
Molecular formula	C21H28N6O4
IUPAC name	N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
Molecular weight	428.493
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	2.7
Synonyms	EU-0101279 N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide PDSP1_000319 XAC [3H]XAC 8-(4-(((2-(4-Aminophenylacetylamino)ethyl)carbonyl)methyl)oxy)phenyl-1,3-dipropylxanthine BDBM50207816 GTPL432 N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide NCGC00016097-03 PDSP2_000443 Xanthine amine congener pound>>XAC 8-[4-[[[[(2-Aminoethyl)amino]carbonyl]methyl]oxy]phenyl]-1,3-dipropylxanthine CHEMBL273094 D0H9BP Lopac0_001279 n-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1h-purin-8-yl)phenoxy]acetamide NCGC00094514-02 SR-01000075243-1 Xanthine, 8-[4-[(2-aminoethyl)aminocarbonyl]methoxyphenyl]-1,3-dipropyl AC1Q5PIP FIQGIOAELHTLHM-UHFFFAOYSA-N N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC) NCGC00016097-01 PDSP1_000445 XAC(8-[4-[[[[(2-Aminoethyl)amino] carbonyl]methyl]oxy]phenyl]-1,3-dipropylxanthine [3H]xanthine amine congener 8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine CCG-205352 CTK8G3788 L000963 N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide NCGC00016097-04 SCHEMBL1000686 Xanthine amine congener xac 3,7-diethyl-9-(4-(N-2-aminoethylcarboxamidomethoxy))phenylxanthine 96865-92-8 DTXSID10242595 LP01279 N-(2-Aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxy]acetamide # Papaxac X-103 ZINC9210767 Acetamide, N-(2-aminoethyl)-2-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy)- GTPL404 N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC) NCGC00016097-02 PDSP2_000317 8-[4-[[[[(2-Aminoethyl)amino] carbonyl]methyl]oxy]phenyl]-1,3-dipropylxanthine D09HUM Lopac-X-103 N-(2-Aminoethyl)-2-[4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]-acetamide hydrochloride NCGC00094514-01 SR-01000075243 Xanthine amine congener, >=96% (HPLC) AC1L1KXN [ Show all ]
Inchi Key	FIQGIOAELHTLHM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
PubChem CID	5697
ChEMBL	CHEMBL273094
IUPHAR	432, 404
BindingDB	50207816
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
79286	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
79287	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
79288	Adenosine receptor A1	P34970	ADORA1	Oryctolagus cuniculus (Rabbit)	328
79289	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
79295	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
79285	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
79296	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
79284	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
79291	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
79292	Adenosine receptor A3	P35342	ADORA3	Ovis aries (Sheep)	317
79293	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
79294	Adenosine receptor A3	O02667	ADORA3	Oryctolagus cuniculus (Rabbit)	319
79290	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
79297	P2Y purinoceptor 2	P58825	P2RY2	Cricetulus griseus (Chinese hamster)	166

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