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Ligand

NameCHEMBL424433
Molecular formulaC15H20N4O4
IUPAC nametert-butyl (E)-3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)prop-2-enoate
Molecular weight320.349
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP0.9
SynonymsSCHEMBL7402268
AJUDZDYYJWKDLW-BQYQJAHWSA-N
(8E)-1,2,3,6-Tetrahydro-1,3,7-trimethyl-2,6-dioxo-7H-purine-8-acrylic acid tert-butyl ester
8-(trans-2-tert-Butyloxycarbonylvinyl)-1,3,7-trimethylxanthine
BDBM50045343
[ Show all ]
Inchi KeyAJUDZDYYJWKDLW-BQYQJAHWSA-N
Inchi IDInChI=1S/C15H20N4O4/c1-15(2,3)23-10(20)8-7-9-16-12-11(17(9)4)13(21)19(6)14(22)18(12)5/h7-8H,1-6H3/b8-7+
PubChem CID44322635
ChEMBLCHEMBL424433
IUPHARN/A
BindingDB50045343
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7228Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
7229Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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