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Ligand

NameCHEMBL66811
Molecular formulaC24H19N7O2
IUPAC name4-(furan-2-yl)-10-[(4-phenylmethoxyphenyl)methyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
Molecular weight437.463
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.6
Synonyms7-(4-Benzyloxy-benzyl)-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
BDBM50064699
Inchi KeyALPXBFYOHXHXPE-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H19N7O2/c25-24-28-22-19(23-27-21(29-31(23)24)20-7-4-12-32-20)13-26-30(22)14-16-8-10-18(11-9-16)33-15-17-5-2-1-3-6-17/h1-13H,14-15H2,(H2,25,28)
PubChem CID10812872
ChEMBLCHEMBL66811
IUPHARN/A
BindingDB50064699
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8497Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
8494Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
8495Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
8496Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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