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Ligand

NameCHEMBL124724
Molecular formulaC18H20N6
IUPAC name7-butyl-4-(4-ethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Molecular weight320.4
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50149121
SCHEMBL6716500
5-Butyl-2-(4-ethyl-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SCHEMBL6716508
Inchi KeyAETNYZOCDUAMMP-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N6/c1-3-5-6-15-20-17-14(11-19-22-17)18-21-16(23-24(15)18)13-9-7-12(4-2)8-10-13/h7-11H,3-6H2,1-2H3,(H,19,22)
PubChem CID135738634
ChEMBLCHEMBL124724
IUPHARN/A
BindingDB50149121
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557391Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
557392Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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