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Ligand

NameCHEMBL2113609
Molecular formulaC17H25N5O4
IUPAC name(2R,3R,4R,5R)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Molecular weight363.418
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.8
SynonymsSCHEMBL6378397
AACDCSBTWQKCLH-MCPWVCTESA-N
BDBM50410289
Adenosine, N-cyclohexyl-2'-C-methyl-
9-(2'-C-methyl-beta-D-ribofuranosyl)-6-(cyclohexylamino)purine
[ Show all ]
Inchi KeyAACDCSBTWQKCLH-MCPWVCTESA-N
Inchi IDInChI=1S/C17H25N5O4/c1-17(25)13(24)11(7-23)26-16(17)22-9-20-12-14(18-8-19-15(12)22)21-10-5-3-2-4-6-10/h8-11,13,16,23-25H,2-7H2,1H3,(H,18,19,21)/t11-,13-,16-,17-/m1/s1
PubChem CID10338742
ChEMBLCHEMBL2113609
IUPHARN/A
BindingDB50410289
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
51Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
50Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
441670Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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