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Ligand

NameCHEMBL609923
Molecular formulaC18H19ClN6O4
IUPAC name(2S,3S,4R)-5-[6-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Molecular weight418.838
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.9
SynonymsBDBM50368959
Inchi KeyCLVKBQNLNDAZMH-CDJKEZFESA-N
Inchi IDInChI=1S/C18H19ClN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18?/m0/s1
PubChem CID46876813
ChEMBLCHEMBL609923
IUPHARN/A
BindingDB50368959
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
45034Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
45035Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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