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Ligand

NameCHEMBL609543
Molecular formulaC14H21N5O5
IUPAC name(3R,4S,5R)-2-[6-amino-2-(propoxymethyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight339.352
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP-0.5
SynonymsBDBM50369975
Inchi KeyAOLLQMMHJAYASQ-WHXREITPSA-N
Inchi IDInChI=1S/C14H21N5O5/c1-2-3-23-5-8-17-12(15)9-13(18-8)19(6-16-9)14-11(22)10(21)7(4-20)24-14/h6-7,10-11,14,20-22H,2-5H2,1H3,(H2,15,17,18)/t7-,10-,11-,14?/m1/s1
PubChem CID46876246
ChEMBLCHEMBL609543
IUPHARN/A
BindingDB50369975
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
10339Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
10340Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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