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Ligand

NameCHEMBL609650
Molecular formulaC16H17N5O5
IUPAC name(3R,4S,5R)-2-[6-(3-hydroxyanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight359.342
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP0.8
SynonymsBDBM50367496
Inchi KeyDSKWJMPYHQTWFI-AARXTDBFSA-N
Inchi IDInChI=1S/C16H17N5O5/c22-5-10-12(24)13(25)16(26-10)21-7-19-11-14(17-6-18-15(11)21)20-8-2-1-3-9(23)4-8/h1-4,6-7,10,12-13,16,22-25H,5H2,(H,17,18,20)/t10-,12-,13-,16?/m1/s1
PubChem CID46877050
ChEMBLCHEMBL609650
IUPHARN/A
BindingDB50367496
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
67702Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324

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