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Ligand

NameCHEMBL603589
Molecular formulaC17H25N5O5
IUPAC name(3S,4R,5S)-2-[6-amino-2-(2-cyclopentylethoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight379.417
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP1.8
SynonymsBDBM50368242
Inchi KeyDWDZRGBQUYLPRC-MSOSYJBYSA-N
Inchi IDInChI=1S/C17H25N5O5/c18-14-11-15(21-17(20-14)26-6-5-9-3-1-2-4-9)22(8-19-11)16-13(25)12(24)10(7-23)27-16/h8-10,12-13,16,23-25H,1-7H2,(H2,18,20,21)/t10-,12-,13-,16?/m0/s1
PubChem CID46874418
ChEMBLCHEMBL603589
IUPHARN/A
BindingDB50368242
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
70506Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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