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Ligand

NameCHEMBL608327
Molecular formulaC18H18ClIN6O4
IUPAC name(2S,3S,4R)-5-[6-[(2-chloro-3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Molecular weight544.734
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.5
SynonymsBDBM50369386
Inchi KeyAJASMUGOIFKXOZ-CDJKEZFESA-N
Inchi IDInChI=1S/C18H18ClIN6O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-3-2-4-9(20)10(8)19/h2-4,6-7,12-14,18,27-28H,5H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18?/m0/s1
PubChem CID46875855
ChEMBLCHEMBL608327
IUPHARN/A
BindingDB50369386
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6719Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
6720Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
6721Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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