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Ligand

NameXanthine amine congener
Molecular formulaC21H28N6O4
IUPAC nameN-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
Molecular weight428.493
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.7
SynonymsN-(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)-
[ Show all ]
Inchi KeyFIQGIOAELHTLHM-UHFFFAOYSA-N
Inchi IDInChI=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 CID5697
ChEMBLCHEMBL273094
IUPHAR404, 432
BindingDB50207816
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 14
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
79286Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
79287Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
79288Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
79289Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
79295Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
79285Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
79296Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
79284Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
79291Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
79292Adenosine receptor A3P35342ADORA3Ovis aries (Sheep)317
79293Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
79294Adenosine receptor A3O02667ADORA3Oryctolagus cuniculus (Rabbit)319
79290Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
79297P2Y purinoceptor 2P58825P2RY2Cricetulus griseus (Chinese hamster)166

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