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Ligand

Name7-(3-Chloropropyl)theophylline
Molecular formulaC10H13ClN4O2
IUPAC name7-(3-chloropropyl)-1,3-dimethylpurine-2,6-dione
Molecular weight256.69
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP0.4
Synonyms7-(3-chloropropyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
A15451
DTXSID90182066
(Chloro-3 propyl)-7 theophylline [French]
2770-66-3
[ Show all ]
Inchi KeyMORVOYPJRATMRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H13ClN4O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3-5H2,1-2H3
PubChem CID76011
ChEMBLCHEMBL67323
IUPHARN/A
BindingDB50113244
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
210642Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
210641Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
210640Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
210643Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332

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