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Ligand

NameCHEMBL2113489
Molecular formulaC16H22N6O4
IUPAC name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-cyclohexyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight362.39
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.8
SynonymsBDBM50409300
N-Cyclohexyl-1-(6-amino-9H-purine-9-yl)-1-deoxy-beta-D-ribofuranuronamide
Inchi KeyLBXKUSAVTWZPRD-MEQWQQMJSA-N
Inchi IDInChI=1S/C16H22N6O4/c17-13-9-14(19-6-18-13)22(7-20-9)16-11(24)10(23)12(26-16)15(25)21-8-4-2-1-3-5-8/h6-8,10-12,16,23-24H,1-5H2,(H,21,25)(H2,17,18,19)/t10-,11+,12-,16+/m0/s1
PubChem CID10316575
ChEMBLCHEMBL2113489
IUPHARN/A
BindingDB50409300
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1836872-oxoglutarate receptor 1Q6Y1R5Oxgr1Rattus norvegicus (Rat)337
183689Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
183686Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
183685Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
183688Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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