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Ligand

NameCHEMBL3679389
Molecular formulaC24H31N5O5
IUPAC name(2R,3R,4S,5R)-2-[6-[[(2R)-2-[(2,6-dimethylphenyl)methoxy]cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight469.542
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.7
SynonymsBDBM99210
SCHEMBL12193038
US8501708, 34
Inchi KeyORFNSVWTHZCZKK-LDSVTMFDSA-N
Inchi IDInChI=1S/C24H31N5O5/c1-13-5-3-6-14(2)15(13)10-33-17-8-4-7-16(17)28-22-19-23(26-11-25-22)29(12-27-19)24-21(32)20(31)18(9-30)34-24/h3,5-6,11-12,16-18,20-21,24,30-32H,4,7-10H2,1-2H3,(H,25,26,28)/t16?,17-,18-,20-,21-,24-/m1/s1
PubChem CID58455975
ChEMBLCHEMBL3679389
IUPHARN/A
BindingDB99210
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
248445Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
542571Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
248444Adenosine receptor A3O02667ADORA3Oryctolagus cuniculus (Rabbit)319

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