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Ligand

NameCHEMBL515442
Molecular formulaC19H20ClIN6O5
IUPAC name[(2R,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl N-methylcarbamate
Molecular weight574.76
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP1.7
SynonymsSCHEMBL5579452
BDBM50293031
2-chloro-N6-(3-iodobenzyl)-5''-N-methylcarbamoyladenosine
2-chloro-N6-(3-iodobenzyl)adenosine-5''-N-methylcarboxamide
Inchi KeyACWHBXMNFZBKMU-LSCFUAHRSA-N
Inchi IDInChI=1S/C19H20ClIN6O5/c1-22-19(30)31-7-11-13(28)14(29)17(32-11)27-8-24-12-15(25-18(20)26-16(12)27)23-6-9-3-2-4-10(21)5-9/h2-5,8,11,13-14,17,28-29H,6-7H2,1H3,(H,22,30)(H,23,25,26)/t11-,13-,14-,17-/m1/s1
PubChem CID44563977
ChEMBLCHEMBL515442
IUPHARN/A
BindingDB50293031
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
1990Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
1992Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
1991Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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