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Ligand

NameCHEMBL605667
Molecular formulaC16H19N5O5S
IUPAC name(3S,4R,5S)-2-[6-amino-2-(2-thiophen-2-ylethoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight393.418
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP0.9
SynonymsBDBM50406509
Inchi KeyBVOKQKZIUWGDTK-PHOHYCPASA-N
Inchi IDInChI=1S/C16H19N5O5S/c17-13-10-14(20-16(19-13)25-4-3-8-2-1-5-27-8)21(7-18-10)15-12(24)11(23)9(6-22)26-15/h1-2,5,7,9,11-12,15,22-24H,3-4,6H2,(H2,17,19,20)/t9-,11-,12-,15?/m0/s1
PubChem CID46874346
ChEMBLCHEMBL605667
IUPHARN/A
BindingDB50406509
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
33913Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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