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Ligand

NameCID 46876686
Molecular formulaC15H17N7O4S
IUPAC name(3R,4S,5R)-2-[6-amino-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight391.406
Hydrogen bond acceptor11
Hydrogen bond donor5
XlogP0.9
SynonymsN/A
Inchi KeyCEBYJLIWMBILKB-OXISBLNKSA-N
Inchi IDInChI=1S/C15H17N7O4S/c16-12-9-13(20-15(19-12)21-18-4-7-2-1-3-27-7)22(6-17-9)14-11(25)10(24)8(5-23)26-14/h1-4,6,8,10-11,14,23-25H,5H2,(H3,16,19,20,21)/b18-4+/t8-,10-,11-,14?/m1/s1
PubChem CID46876686
ChEMBLCHEMBL608176
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39755Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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