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Ligand

NameCHEMBL2113703
Molecular formulaC18H18ClIN6O3
IUPAC name(2S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-4-hydroxy-N-methyloxolane-2-carboxamide
Molecular weight528.735
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.3
SynonymsBDBM50453674
Inchi KeyFXEWFFAHNPVFJE-BWACUDIHSA-N
Inchi IDInChI=1S/C18H18ClIN6O3/c1-21-16(28)12-6-11(27)17(29-12)26-8-23-13-14(24-18(19)25-15(13)26)22-7-9-3-2-4-10(20)5-9/h2-5,8,11-12,17,27H,6-7H2,1H3,(H,21,28)(H,22,24,25)/t11-,12+,17-/m1/s1
PubChem CID10196265
ChEMBLCHEMBL2113703
IUPHARN/A
BindingDB50453674
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
89535Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
89534Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
89533Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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