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Ligand

NameCHEMBL1093910
Molecular formulaC17H19N5O5
IUPAC name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-methoxyanilino)purin-9-yl]oxolane-3,4-diol
Molecular weight373.369
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP1.1
SynonymsBDBM50315857
N-(4-Methoxyphenyl)adenosine
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphenylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
N6-p-Methoxyphenyladenosin
Inchi KeyDHSVZMSVSTXYCS-LSCFUAHRSA-N
Inchi IDInChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1
PubChem CID46886345
ChEMBLCHEMBL1093910
IUPHARN/A
BindingDB50315857
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
60333Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
60334Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324
60335Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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