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Ligand

NameCHEMBL3407778
Molecular formulaC20H20N6O4
IUPAC name(1S,2R,3S,4R,5S)-4-[2-[2-(furan-2-yl)ethynyl]-6-(methylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight408.418
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.1
SynonymsBDBM50069982
Inchi KeyREGVNYFRZZOKQV-NQWXTVAOSA-N
Inchi IDInChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)6-5-10-4-3-7-30-10)26(9-23-13)14-11-8-20(11,19(29)22-2)16(28)15(14)27/h3-4,7,9,11,14-16,27-28H,8H2,1-2H3,(H,22,29)(H,21,24,25)/t11-,14-,15+,16+,20+/m1/s1
PubChem CID118730345
ChEMBLCHEMBL3407778
IUPHARN/A
BindingDB50069982
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
453338Adenosine receptor A1Q60612Adora1Mus musculus (Mouse)326
453339Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
453334Adenosine receptor A2aQ60613Adora2aMus musculus (Mouse)410
453337Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
453335Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
453336Adenosine receptor A3Q61618Adora3Mus musculus (Mouse)319

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