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Ligand

NameHE-NECA
Molecular formulaC18H24N6O4
IUPAC name(2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight388.428
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.8
Synonyms2-Hexynyl-NECA
Heneca
CHEMBL410873
2-Hexynyl-5'-N-ethylcarboxamidoadenosine
141018-30-6
[ Show all ]
Inchi KeyFDEACFAXFCKCHZ-MOROJQBDSA-N
Inchi IDInChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
PubChem CID164437
ChEMBLCHEMBL410873
IUPHAR373
BindingDB50453224
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
75504Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
553647Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
75505Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
75506Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
553648Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
75509Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
553646Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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