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Ligand

Name8-Phenyltheophylline
Molecular formulaC13H12N4O2
IUPAC name1,3-dimethyl-8-phenyl-7H-purine-2,6-dione
Molecular weight256.265
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.2
SynonymsSMR000058251
UNII-E6M543P3BL
1,3-dimethyl-8-phenyl-1,3,7-trihydropurine-2,6-dione
1,3-DIMETHYL-8-PHENYLXANTHINE, CRYSTALLINE
C-30345
[ Show all ]
Inchi KeyPJFMAVHETLRJHJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
PubChem CID1922
ChEMBLCHEMBL62350
IUPHARN/A
BindingDB82015
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: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
261118Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
261119Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
261121Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
261126Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
261117Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409
261122Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
261123Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
261120Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
261127Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
261125Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
261128Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
261124Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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