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Ligand

NameCHEMBL22355
Molecular formulaC21H17N7O5
IUPAC name(2R)-5-[3-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]propyl]-1,3-benzodioxole-2-carboxylic acid
Molecular weight447.411
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM50108026
2-(2-Furyl)-6-[3-(2beta-carboxy-1,3-benzodioxole-5-yl)propyl]-6H-1,3,3a,5,6,7-hexaaza-as-indacene-4-amine
5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzo[1,3]dioxole-2-carboxylic acid
Inchi KeyAFOOOKGSRGDTCL-HXUWFJFHSA-N
Inchi IDInChI=1S/C21H17N7O5/c22-21-25-17-12(18-24-16(26-28(18)21)14-4-2-8-31-14)10-23-27(17)7-1-3-11-5-6-13-15(9-11)33-20(32-13)19(29)30/h2,4-6,8-10,20H,1,3,7H2,(H2,22,25)(H,29,30)/t20-/m1/s1
PubChem CID44457922
ChEMBLCHEMBL22355
IUPHARN/A
BindingDB50108026
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
4354Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
4357Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
4356Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
4355Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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