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Ligand

NameCHEMBL603992
Molecular formulaC25H27N5O4S
IUPAC name(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)-2-phenylsulfanylpurin-9-yl]oxolane-3,4-diol
Molecular weight493.582
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP4.4
SynonymsBDBM50367888
Inchi KeyAJBOLQJJHZZFHE-CJSNNPAMSA-N
Inchi IDInChI=1S/C25H27N5O4S/c1-15(12-16-8-4-2-5-9-16)27-22-19-23(29-25(28-22)35-17-10-6-3-7-11-17)30(14-26-19)24-21(33)20(32)18(13-31)34-24/h2-11,14-15,18,20-21,24,31-33H,12-13H2,1H3,(H,27,28,29)/t15?,18-,20-,21-,24?/m1/s1
PubChem CID46874235
ChEMBLCHEMBL603992
IUPHARN/A
BindingDB50367888
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
6755Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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