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Ligand

NameCHEMBL608611
Molecular formulaC20H22FN5O5
IUPAC name(2R,3S,4R)-2-[(3-fluorophenoxy)methyl]-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol
Molecular weight431.424
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP1.6
SynonymsBDBM50451981
Inchi KeyDMXJNVKAUIRESA-YPCFTJQESA-N
Inchi IDInChI=1S/C20H22FN5O5/c21-11-2-1-3-13(6-11)30-8-14-16(27)17(28)20(31-14)26-10-24-15-18(22-9-23-19(15)26)25-12-4-5-29-7-12/h1-3,6,9-10,12,14,16-17,20,27-28H,4-5,7-8H2,(H,22,23,25)/t12?,14-,16-,17-,20?/m1/s1
PubChem CID46875628
ChEMBLCHEMBL608611
IUPHARN/A
BindingDB50451981
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
64104Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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