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Ligand

NameCID 46876729
Molecular formulaC17H18ClN7O4
IUPAC name(3R,4S,5R)-2-[6-amino-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight419.826
Hydrogen bond acceptor10
Hydrogen bond donor5
XlogP1.5
SynonymsN/A
Inchi KeyBTHGHNBTEPTUHZ-PSOSHUPLSA-N
Inchi IDInChI=1S/C17H18ClN7O4/c18-9-4-2-1-3-8(9)5-21-24-17-22-14(19)11-15(23-17)25(7-20-11)16-13(28)12(27)10(6-26)29-16/h1-5,7,10,12-13,16,26-28H,6H2,(H3,19,22,23,24)/b21-5+/t10-,12-,13-,16?/m1/s1
PubChem CID46876729
ChEMBLCHEMBL609338
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
32338Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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