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Ligand

NameCHEMBL609086
Molecular formulaC16H18N6O4
IUPAC name(3R,4S,5R)-2-[6-(3-aminoanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight358.358
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP0.5
SynonymsBDBM50367499
Inchi KeyPFBVXUVRAODVCI-AARXTDBFSA-N
Inchi IDInChI=1S/C16H18N6O4/c17-8-2-1-3-9(4-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5,17H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1
PubChem CID46877117
ChEMBLCHEMBL609086
IUPHARN/A
BindingDB50367499
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
258155Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324

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