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Ligand

NameCHEMBL28683
Molecular formulaC12H15N5O2
IUPAC name3-(1-methyl-2,6-dioxo-3-propylpurin-7-yl)propanenitrile
Molecular weight261.285
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP0.1
Synonyms3-(1-Methyl-2,6-dioxo-3-propyl-1,2,3,6-tetrahydro-purin-7-yl)-propionitrile
BDBM50047253
3-[(1-Methyl-3-propyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin)-7-yl]propanenitrile
Inchi KeyDHHXUJLBRABAAD-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H15N5O2/c1-3-6-17-10-9(11(18)15(2)12(17)19)16(8-14-10)7-4-5-13/h8H,3-4,6-7H2,1-2H3
PubChem CID10467827
ChEMBLCHEMBL28683
IUPHARN/A
BindingDB50047253
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
60021Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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