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Ligand

NameCHEMBL2112076
Molecular formulaC10H12ClN5O4
IUPAC name(2R,3S,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight301.687
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-0.1
SynonymsSCHEMBL1389446
BDBM50453673
ZINC12405882
6-Amino-2-chloro-9-beta-D-arabinofuranosyl-9H-purine
Inchi KeyBIXYYZIIJIXVFW-FJFJXFQQSA-N
Inchi IDInChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1
PubChem CID9879442
ChEMBLCHEMBL2112076
IUPHARN/A
BindingDB50453673
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24835Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
24834Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
24836Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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