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Ligand

NameCID 53633248
Molecular formulaC28H29N5O4
IUPAC nameN-(2-acetylphenyl)-3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enamide
Molecular weight499.571
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.5
SynonymsN/A
Inchi KeyAAYAXEYKWMOSAT-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29N5O4/c1-4-16-32-26-24(27(36)33(17-5-2)28(32)37)30-25(31-26)20-13-10-19(11-14-20)12-15-23(35)29-22-9-7-6-8-21(22)18(3)34/h6-15H,4-5,16-17H2,1-3H3,(H,29,35)(H,30,31)
PubChem CID53633248
ChEMBLN/A
IUPHARN/A
BindingDB50086181
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
612Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
614Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
611Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
613Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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