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Ligand

Name2-(1-hexynyl)adenosine
Molecular formulaC16H21N5O4
IUPAC name(2R,3R,4S,5R)-2-(6-amino-2-hex-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight347.375
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.3
SynonymsBDBM50119168
CTK5G8155
(2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
adenosine, 2-(1-hexynyl)-
(2R,3R,4S,5R)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol
[ Show all ]
Inchi KeyAHJRSKVOELIMOX-RVXWVPLUSA-N
Inchi IDInChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
PubChem CID10020580
ChEMBLCHEMBL319387
IUPHARN/A
BindingDB50119168
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5631Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
5633Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
5629Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
5630Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
5632Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
441919Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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