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Ligand

NameCHEMBL1800784
Molecular formulaC17H21N7O2
IUPAC name(8S)-8-ethyl-2-(5-methoxy-2-methylpyrazol-3-yl)-4-prop-2-enyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
Molecular weight355.402
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.4
SynonymsBDBM50348155
Inchi KeyANARBNFHRFJIQR-JTQLQIEISA-N
Inchi IDInChI=1S/C17H21N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,18H,1,6-7,9H2,2-4H3/t10-/m0/s1
PubChem CID136026133
ChEMBLN/A
IUPHARN/A
BindingDB50348155
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
557536Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
557537Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
557538Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
557535Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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