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Ligand

Name7-(2-Chloroethyl)theophylline
Molecular formulaC9H11ClN4O2
IUPAC name7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
Molecular weight242.663
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP0.1
SynonymsDTXSID80207510
KBio2_002440
LS-149448
QCIARNIKNKKHFH-UHFFFAOYSA-N
1,3-Dimethyl-7-( beta-chloroethyl)xanthine
[ Show all ]
Inchi KeyQCIARNIKNKKHFH-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3
PubChem CID1882
ChEMBLCHEMBL23903
IUPHARN/A
BindingDB50025584
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
274832Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
274830Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
274834Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409
556541Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
274831Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
274833Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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