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Ligand

NameMRS 1754
Molecular formulaC26H26N6O4
IUPAC nameN-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
Molecular weight486.532
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.9
SynonymsATL-844
GTPL449
Lopac0_000729
N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(MRS-1754)
NCGC00094075-01
[ Show all ]
Inchi KeyAJBBEYXFRYFVNM-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
PubChem CID6603931
ChEMBLCHEMBL273807
IUPHAR449, 453
BindingDB50086170
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: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6730Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
6734Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
6729Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
6736Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
6732Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
6733Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
6735Adenosine receptor A2bQ60614Adora2bMus musculus (Mouse)332
6731Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
6738Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
6737Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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