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Ligand

NameCID 129447
Molecular formulaC20H22N4O4
IUPAC name3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enoic acid
Molecular weight382.42
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsN/A
Inchi KeyUGCOFEOEBHUEHA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)
PubChem CID129447
ChEMBLN/A
IUPHARN/A
BindingDB50037440
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
336099Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
336100Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
336102Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
336098Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
336101Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
336096Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
336095Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
336097Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
336103Adenosine receptor A3O02667ADORA3Oryctolagus cuniculus (Rabbit)319

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