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Ligand

NameCHEMBL428716
Molecular formulaC22H29N7O6
IUPAC nameethyl 1-[6-(cyclohexylamino)-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxylate
Molecular weight487.517
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP1.1
SynonymsBDBM50196554
ethyl 1-(6-(cyclohexylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate
Inchi KeyAFCSGZQBWPLSJY-WVSUBDOOSA-N
Inchi IDInChI=1S/C22H29N7O6/c1-2-34-21(33)12-8-24-29(9-12)22-26-18(25-13-6-4-3-5-7-13)15-19(27-22)28(11-23-15)20-17(32)16(31)14(10-30)35-20/h8-9,11,13-14,16-17,20,30-32H,2-7,10H2,1H3,(H,25,26,27)/t14-,16-,17-,20-/m1/s1
PubChem CID11978310
ChEMBLCHEMBL428716
IUPHARN/A
BindingDB50196554
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4042Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
4041Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
4040Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
4043Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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