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Ligand

NameCHEMBL382194
Molecular formulaC18H20IN7O4
IUPAC name[(2S,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolan-3-yl]urea
Molecular weight525.307
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP0.4
SynonymsMRS-3481
BDBM50185932
N6-(3-iodobenzyl)-9-(3-deoxy-3-ureido-B-D-ribofuranosyl)adenine
Inchi KeyABGDLYABGFCQLB-CTWCOEIASA-N
Inchi IDInChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1
PubChem CID11584486
ChEMBLCHEMBL382194
IUPHARN/A
BindingDB50185932
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
829Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
828Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
441703Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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