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Ligand

NameCHEMBL3093315
Molecular formulaC17H17N5O2S
IUPAC name1-methyl-3-prop-2-ynyl-9-(thiophen-2-ylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight355.416
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP1.4
SynonymsN/A
Inchi KeyAGZVWXGMVQOACX-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17N5O2S/c1-3-7-22-15(23)13-14(19(2)17(22)24)18-16-20(8-5-9-21(13)16)11-12-6-4-10-25-12/h1,4,6,10H,5,7-9,11H2,2H3
PubChem CID72697789
ChEMBLCHEMBL3093315
IUPHARN/A
BindingDBN/A
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
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GLASS IDNameUniProtGeneSpeciesLength
5373Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
5374Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
5371Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
5372Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
5370Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
441913Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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