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Ligand

NameCHEMBL481383
Molecular formulaC20H23N5O2
IUPAC name4-benzyl-6-ethyl-7-methyl-2-propylpurino[7,8-a]imidazole-1,3-dione
Molecular weight365.437
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50254972
1-Benzyl-8-ethyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]-purine-2,4-dione
Inchi KeyABHYOLCRTCYDDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23N5O2/c1-4-11-23-18(26)16-17(21-19-22(5-2)14(3)12-24(16)19)25(20(23)27)13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13H2,1-3H3
PubChem CID44570493
ChEMBLCHEMBL481383
IUPHARN/A
BindingDB50254972
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
871Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
872Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
870Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
873Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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