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Ligand

NameCHEMBL3981215
Molecular formulaC16H21N5O4
IUPAC name(2R,4S,5R)-2-(6-amino-2-hex-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight347.375
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.3
SynonymsN/A
Inchi KeyAHJRSKVOELIMOX-SFSNNIAVSA-N
Inchi IDInChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13?,16-/m1/s1
PubChem CID134157427
ChEMBLCHEMBL3981215
IUPHARN/A
BindingDBN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
547959Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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