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Ligand

NameCHEMBL2070882
Molecular formulaC20H25N9O2
IUPAC name1-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(1-propylpiperidin-4-yl)urea
Molecular weight423.481
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.7
SynonymsBDBM50389899
Inchi KeyAOPPYLPJMVDJIR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25N9O2/c1-3-8-28-9-6-13(7-10-28)21-20(30)24-19-23-16-14(12-27(2)25-16)18-22-17(26-29(18)19)15-5-4-11-31-15/h4-5,11-13H,3,6-10H2,1-2H3,(H2,21,23,24,25,30)
PubChem CID60155714
ChEMBLCHEMBL2070882
IUPHARN/A
BindingDB50389899
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
10495Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
10496Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
10498Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
10497Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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