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Ligand

NameCHEMBL611552
Molecular formulaC20H22N10O7
IUPAC nameN-ethyl-3,4-dihydroxy-5-[6-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethylamino]purin-9-yl]oxolane-2-carboxamide
Molecular weight514.459
Hydrogen bond acceptor14
Hydrogen bond donor5
XlogP-0.1
SynonymsBDBM50366765
Inchi KeyAGHBSDMIMVOTOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N10O7/c1-2-21-19(33)16-14(31)15(32)20(36-16)29-8-26-13-17(24-7-25-18(13)29)23-6-5-22-9-3-4-10(30(34)35)12-11(9)27-37-28-12/h3-4,7-8,14-16,20,22,31-32H,2,5-6H2,1H3,(H,21,33)(H,23,24,25)
PubChem CID44333404
ChEMBLN/A
IUPHARN/A
BindingDB50366765
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4871Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
4870Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
459262Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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