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Ligand

Name2-(3-Cyclopentyl-1-propynyl)adenosine
Molecular formulaC18H23N5O4
IUPAC name(2R,3R,4S,5R)-2-[6-amino-2-(3-cyclopentylprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight373.413
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.8
Synonyms2-(3-Cyclopentyl-1-propyn-1-yl)adenosine
141345-10-0
CHEMBL2113499
Cpp-adenosine
Adenosine,2-(3-cyclopentyl-1-propynyl)- (9CI)
[ Show all ]
Inchi KeyACTXLGWFGGOOKX-XKLVTHTNSA-N
Inchi IDInChI=1S/C18H23N5O4/c19-16-13-17(22-12(21-16)7-3-6-10-4-1-2-5-10)23(9-20-13)18-15(26)14(25)11(8-24)27-18/h9-11,14-15,18,24-26H,1-2,4-6,8H2,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1
PubChem CID132348
ChEMBLCHEMBL2113499
IUPHARN/A
BindingDB50453213
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1930Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
1931Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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