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Ligand

NameCHEMBL3679381
Molecular formulaC23H29N5O6
IUPAC name(2R,3S,4R)-2-(hydroxymethyl)-5-[6-[[(2S)-2-[(3-methoxyphenyl)methoxy]cyclopentyl]amino]purin-9-yl]oxolane-3,4-diol
Molecular weight471.514
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP1.9
SynonymsBDBM99202
SCHEMBL12193010
US8501708, 22
Inchi KeyDKXQAUQBUSRNHS-UNYIAIFGSA-N
Inchi IDInChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
PubChem CID58455956
ChEMBLCHEMBL3679381
IUPHARN/A
BindingDB99202
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
62694Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
537493Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
62693Adenosine receptor A3O02667ADORA3Oryctolagus cuniculus (Rabbit)319

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