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Ligand

NameCHEMBL3827598
Molecular formulaC26H38N6O3
IUPAC name1,3-dibutyl-9-[4-[2-(dimethylamino)ethoxy]phenyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight482.629
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50187587
J3.561.728K
1,3-Dibutyl-9-[4-[2-(dimethylamino)ethoxy]phenyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Inchi KeyKKTVRWXNIYLETN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H38N6O3/c1-5-7-14-31-23-22(24(33)32(26(31)34)15-8-6-2)30-17-9-16-29(25(30)27-23)20-10-12-21(13-11-20)35-19-18-28(3)4/h10-13H,5-9,14-19H2,1-4H3
PubChem CID127045167
ChEMBLCHEMBL3827598
IUPHARN/A
BindingDB50187587
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
526386Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
526392Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
526388Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
526393Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
526387Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
526390Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
526389Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
526391Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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