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Ligand

NameCHEMBL16724
Molecular formulaC19H18N4O5
IUPAC name2-[4-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]phenoxy]acetic acid
Molecular weight382.376
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.0
SynonymsAC1LBTF9
Xanthin, 1,3-diallyl-8-[4-carboxymethoxypheny]-
CZKQVHBXRSZWAF-UHFFFAOYSA-N
BDBM50037435
Xanthine, 1,3-diallyl-8-[4-carboxymethoxypheny]-
[ Show all ]
Inchi KeyCZKQVHBXRSZWAF-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H18N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h3-8H,1-2,9-11H2,(H,20,21)(H,24,25)
PubChem CID541903
ChEMBLCHEMBL16724
IUPHARN/A
BindingDB50037435
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
54401Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
54403Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
54402Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
54404Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
54399Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
54400Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
54405Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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