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Ligand

NameCHEMBL603991
Molecular formulaC19H24N6O4
IUPAC name(3R,4S,5R)-2-[2-amino-6-(1-phenylpropan-2-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight400.439
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP1.7
SynonymsBDBM50367893
Inchi KeyAFGIPPYXJOHAOE-YMYXYURKSA-N
Inchi IDInChI=1S/C19H24N6O4/c1-10(7-11-5-3-2-4-6-11)22-16-13-17(24-19(20)23-16)25(9-21-13)18-15(28)14(27)12(8-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H3,20,22,23,24)/t10?,12-,14-,15-,18?/m1/s1
PubChem CID46874171
ChEMBLCHEMBL603991
IUPHARN/A
BindingDB50367893
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
4139Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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