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Ligand

NameCHEMBL318264
Molecular formulaC14H17N7O4
IUPAC name(2R,3R,4S,5R)-2-[6-amino-2-(1-methylpyrazol-4-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight347.335
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP-1.1
Synonyms(2R,3R,4S,5R)-2-[6-Amino-2-(1-methyl-1H-pyrazol-4-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
BDBM50119162
SCHEMBL272005
2-(1-Methyl-1H-pyrazole-4-yl)adenosine
Inchi KeyAMMBIFRFVRSMSP-AKAIJSEGSA-N
Inchi IDInChI=1S/C14H17N7O4/c1-20-3-6(2-17-20)12-18-11(15)8-13(19-12)21(5-16-8)14-10(24)9(23)7(4-22)25-14/h2-3,5,7,9-10,14,22-24H,4H2,1H3,(H2,15,18,19)/t7-,9-,10-,14-/m1/s1
PubChem CID21054078
ChEMBLCHEMBL318264
IUPHARN/A
BindingDB50119162
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9037Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
9038Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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