Ligand Id: 1065
Ligand name APPA

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 23
Hydrogen bond donors 8
Rotatable bonds 10
Topological polar surface area 360.53
Molecular weight 676.12
XLogP -6.35
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
IUPAC Name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Synonyms
[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-phosphoryl]oxy-phosphinic acid
amino-propylphosphinic acid
Diadenosine pyrophosphate
Database Links
PubChem CID 188326
Search on ChemSpider FHISWBUCBBVWGG-SNESVTBZSA-N
ZINC ZINC65731202

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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