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Ligand

NameCHEMBL2180915
Molecular formulaC17H21N7O2
IUPAC name6-[[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]amino]hexan-1-ol
Molecular weight355.402
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50399613
Inchi KeyALQICOJQDRHPNA-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21N7O2/c1-23-11-12-14(21-23)20-17(18-8-4-2-3-5-9-25)24-16(12)19-15(22-24)13-7-6-10-26-13/h6-7,10-11,25H,2-5,8-9H2,1H3,(H,18,20,21)
PubChem CID71455599
ChEMBLCHEMBL2180915
IUPHARN/A
BindingDB50399613
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
8504Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
8503Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
8505Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
442046Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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