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Ligand

NameBDBM50368468
Molecular formulaC18H21N7O4
IUPAC name(3R,4S,5R)-2-[6-amino-2-[(3-methylphenyl)methyldiazenyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight399.411
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP1.4
SynonymsN/A
Inchi KeyCCLSDFJBGQLBLD-IKYDMHQPSA-N
Inchi IDInChI=1S/C18H21N7O4/c1-9-3-2-4-10(5-9)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)29-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1
PubChem CID91930291
ChEMBLN/A
IUPHARN/A
BindingDB50368468
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
558453Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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