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Ligand

NameCHEMBL611863
Molecular formulaC22H36N4O6
IUPAC name7-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dihexylpurine-2,6-dione
Molecular weight452.552
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.6
SynonymsBDBM50368907
Inchi KeyDVAYXRDQFWKYQL-GWRCBPMCSA-N
Inchi IDInChI=1S/C22H36N4O6/c1-3-5-7-9-11-24-19-16(20(30)25(22(24)31)12-10-8-6-4-2)26(14-23-19)21-18(29)17(28)15(13-27)32-21/h14-15,17-18,21,27-29H,3-13H2,1-2H3/t15-,17-,18-,21?/m1/s1
PubChem CID46875682
ChEMBLCHEMBL611863
IUPHARN/A
BindingDB50368907
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
69731Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
69732Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
69730Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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