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Ligand

NameCID 46876684
Molecular formulaC18H20FN7O4
IUPAC name(3R,4S,5R)-2-[6-amino-2-[(2E)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight417.401
Hydrogen bond acceptor11
Hydrogen bond donor5
XlogP1.2
SynonymsN/A
Inchi KeyDOQXNVBLKUFUIH-WGVRSDFZSA-N
Inchi IDInChI=1S/C18H20FN7O4/c1-8(9-2-4-10(19)5-3-9)24-25-18-22-15(20)12-16(23-18)26(7-21-12)17-14(29)13(28)11(6-27)30-17/h2-5,7,11,13-14,17,27-29H,6H2,1H3,(H3,20,22,23,25)/b24-8+/t11-,13-,14-,17?/m1/s1
PubChem CID46876684
ChEMBLCHEMBL608174
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
65248Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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