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Ligand

NameCHEMBL2113689
Molecular formulaC14H14IN5O
IUPAC name2-[6-[(3-iodophenyl)methylamino]purin-9-yl]ethanol
Molecular weight395.204
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM50453663
Inchi KeyDNQAXYGECDSJRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H14IN5O/c15-11-3-1-2-10(6-11)7-16-13-12-14(18-8-17-13)20(4-5-21)9-19-12/h1-3,6,8-9,21H,4-5,7H2,(H,16,17,18)
PubChem CID10092058
ChEMBLCHEMBL2113689
IUPHARN/A
BindingDB50453663
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
64572Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
64573Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
64571Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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