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Ligand

NameCHEMBL606495
Molecular formulaC11H14ClN5O4
IUPAC name(3R,4R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Molecular weight315.714
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.0
SynonymsBDBM50369352
Inchi KeyCKNNSJGYKWRNEN-CECVVVHYSA-N
Inchi IDInChI=1S/C11H14ClN5O4/c1-11(20)6(19)4(2-18)21-9(11)17-3-14-5-7(13)15-10(12)16-8(5)17/h3-4,6,9,18-20H,2H2,1H3,(H2,13,15,16)/t4-,6-,9?,11-/m1/s1
PubChem CID46874149
ChEMBLCHEMBL606495
IUPHARN/A
BindingDB50369352
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
44278Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
44277Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
44276Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
443415Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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